1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea

C207H297N31O18S8 — CID 159112883

IUPAC1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@@H](C)Cc1ccsc1.C=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1cc[nH]c(=O)c1)N(C)C.CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CC[C@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NC(C)Cc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NCCc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)N[C@@H](C)Cc1ccsc1)N(C)C
InChIInChI=1S/C22H31N3O2.2C22H31N3OS.2C21H31N3O2S.C21H29N3O2.3C20H29N3O2S.C18H26N4O2S/c1-23(2)20(16-19-10-12-21(26)13-11-19)17-25(4)22(27)24(3)15-14-18-8-6-5-7-9-18;2*1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-14-8-19(25)9-15(2)20(14)11-18(24(4)5)12-22-21(26)23-16(3)10-17-6-7-27-13-17;1-23(2)19(15-18-9-11-20(25)12-10-18)16-22-21(26)24(3)14-13-17-7-5-4-6-8-17;1-14-9-18(24)10-15(2)19(14)11-17(23(3)4)12-22-20(25)21-7-5-16-6-8-26-13-16;2*1-4-17(11-16-9-10-26-14-16)22-20(25)21-13-18(23(2)3)12-15-5-7-19(24)8-6-15;1-13(8-15-5-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-6-19-17(23)10-14/h5-13,20,26H,14-17H2,1-4H3;2*5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*6-9,13,16,18,25H,10-12H2,1-5H3,(H2,22,23,26);4-12,19,25H,13-16H2,1-3H3,(H,22,26);6,8-10,13,17,24H,5,7,11-12H2,1-4H3,(H2,21,22,25);2*5-10,14,17-18,24H,4,11-13H2,1-3H3,(H2,21,22,25);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24)/t20-;18-,21+;18-,21-;16?,18-;16-,18-;19-;17-;17-,18+;17-,18-;13?,16-/m0100000100/s1
InChIKeyKESILQCJKUFMHY-XFIKKHRRSA-N
MW3764.39 g/mol
LogP32.31
Rot. Bonds86

About 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea

1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea (PubChem CID 159112883) has the molecular formula C207H297N31O18S8 and a molecular weight of 3764.39 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
PubChem CID159112883
Molecular FormulaC207H297N31O18S8
Molecular Weight3764.39 g/mol
Exact Mass3761.10
IUPAC Name1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@@H](C)Cc1ccsc1.C=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1cc[nH]c(=O)c1)N(C)C.CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CC[C@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NC(C)Cc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NCCc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)N[C@@H](C)Cc1ccsc1)N(C)C
InChIInChI=1S/C22H31N3O2.2C22H31N3OS.2C21H31N3O2S.C21H29N3O2.3C20H29N3O2S.C18H26N4O2S/c1-23(2)20(16-19-10-12-21(26)13-11-19)17-25(4)22(27)24(3)15-14-18-8-6-5-7-9-18;2*1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-14-8-19(25)9-15(2)20(14)11-18(24(4)5)12-22-21(26)23-16(3)10-17-6-7-27-13-17;1-23(2)19(15-18-9-11-20(25)12-10-18)16-22-21(26)24(3)14-13-17-7-5-4-6-8-17;1-14-9-18(24)10-15(2)19(14)11-17(23(3)4)12-22-20(25)21-7-5-16-6-8-26-13-16;2*1-4-17(11-16-9-10-26-14-16)22-20(25)21-13-18(23(2)3)12-15-5-7-19(24)8-6-15;1-13(8-15-5-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-6-19-17(23)10-14/h5-13,20,26H,14-17H2,1-4H3;2*5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*6-9,13,16,18,25H,10-12H2,1-5H3,(H2,22,23,26);4-12,19,25H,13-16H2,1-3H3,(H,22,26);6,8-10,13,17,24H,5,7,11-12H2,1-4H3,(H2,21,22,25);2*5-10,14,17-18,24H,4,11-13H2,1-3H3,(H2,21,22,25);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24)/t20-;18-,21+;18-,21-;16?,18-;16-,18-;19-;17-;17-,18+;17-,18-;13?,16-/m0100000100/s1
InChIKeyKESILQCJKUFMHY-XFIKKHRRSA-N
XLogP32.31
TPSA574.22 Ų
H-Bond Donors23
H-Bond Acceptors36
Rotatable Bonds86
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003764.39
LogP ≤ 532.31
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1036

Analyze 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-3-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-1-phenylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(3-hydroxyphenyl)propyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)thiourea;1-[(2S)-2-(dimethylamino)-3-(3-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 167613100
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[4-[[(2S)-1-(4-hydroxyphenyl)-3-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]propan-2-yl]-methylamino]-1-phenylbutan-2-yl]urea
CID 135214089
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea
CID 159837795
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
3-[(2R)-1-(2,3-dihydrothiophen-4-yl)propan-2-yl]-1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enylurea
CID 135214165
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
CID 145230148
3-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]amino]-4-(1-thiophen-3-ylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
CID 135214120
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(3H-pyrazol-5-yl)propan-2-yl]urea
CID 158793458
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea
CID 86802436
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea (CID 159112883) is 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea is C=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@@H](C)Cc1ccsc1.C=CCN(C[C@H](Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1cc[nH]c(=O)c1)N(C)C.CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CC[C@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C.CN(CCc1ccccc1)C(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NC(C)Cc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)NCCc1ccsc1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)N[C@@H](C)Cc1ccsc1)N(C)C.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The InChIKey is KESILQCJKUFMHY-XFIKKHRRSA-N. The full InChI is InChI=1S/C22H31N3O2.2C22H31N3OS.2C21H31N3O2S.C21H29N3O2.3C20H29N3O2S.C18H26N4O2S/c1-23(2)20(16-19-10-12-21(26)13-11-19)17-25(4)22(27)24(3)15-14-18-8-6-5-7-9-18;2*1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-14-8-19(25)9-15(2)20(14)11-18(24(4)5)12-22-21(26)23-16(3)10-17-6-7-27-13-17;1-23(2)19(15-18-9-11-20(25)12-10-18)16-22-21(26)24(3)14-13-17-7-5-4-6-8-17;1-14-9-18(24)10-15(2)19(14)11-17(23(3)4)12-22-20(25)21-7-5-16-6-8-26-13-16;2*1-4-17(11-16-9-10-26-14-16)22-20(25)21-13-18(23(2)3)12-15-5-7-19(24)8-6-15;1-13(8-15-5-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-6-19-17(23)10-14/h5-13,20,26H,14-17H2,1-4H3;2*5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*6-9,13,16,18,25H,10-12H2,1-5H3,(H2,22,23,26);4-12,19,25H,13-16H2,1-3H3,(H,22,26);6,8-10,13,17,24H,5,7,11-12H2,1-4H3,(H2,21,22,25);2*5-10,14,17-18,24H,4,11-13H2,1-3H3,(H2,21,22,25);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24)/t20-;18-,21+;18-,21-;16?,18-;16-,18-;19-;17-;17-,18+;17-,18-;13?,16-/m0100000100/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea has a molecular weight of 3764.39 g/mol, XLogP of 32.31, 86 rotatable bonds, 23 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea is sourced from PubChem (CID 159112883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).