1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

C82H112N12O6S4 — CID 162227708

IUPAC1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2cc(O)ccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2ccccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccc(O)cc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1
InChIInChI=1S/C21H29N3O2S.C21H29N3OS.C20H27N3O2S.C20H27N3OS/c1-15(10-16-7-9-27-13-16)23-20(26)22-14-21(24(2)3)8-6-17-11-19(25)5-4-18(17)12-21;1-16(12-17-9-11-26-14-17)23-20(25)22-15-21(24(2)3)10-8-18-6-4-5-7-19(18)13-21;1-14(8-15-6-7-26-12-15)22-19(25)21-13-20(23(2)3)10-16-4-5-18(24)9-17(16)11-20;1-15(10-16-8-9-25-13-16)22-19(24)21-14-20(23(2)3)11-17-6-4-5-7-18(17)12-20/h4-5,7,9,11,13,15,25H,6,8,10,12,14H2,1-3H3,(H2,22,23,26);4-7,9,11,14,16H,8,10,12-13,15H2,1-3H3,(H2,22,23,25);4-7,9,12,14,24H,8,10-11,13H2,1-3H3,(H2,21,22,25);4-9,13,15H,10-12,14H2,1-3H3,(H2,21,22,24)/t15-,21?;16-,21?;14-,20?;15-/m0000/s1
InChIKeyZUZCOYQIQOJDND-GEWIXLJASA-N
MW1490.14 g/mol
LogP12.50
Rot. Bonds24

About 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (PubChem CID 162227708) has the molecular formula C82H112N12O6S4 and a molecular weight of 1490.14 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
PubChem CID162227708
Molecular FormulaC82H112N12O6S4
Molecular Weight1490.14 g/mol
Exact Mass1488.77
IUPAC Name1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2cc(O)ccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2ccccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccc(O)cc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1
InChIInChI=1S/C21H29N3O2S.C21H29N3OS.C20H27N3O2S.C20H27N3OS/c1-15(10-16-7-9-27-13-16)23-20(26)22-14-21(24(2)3)8-6-17-11-19(25)5-4-18(17)12-21;1-16(12-17-9-11-26-14-17)23-20(25)22-15-21(24(2)3)10-8-18-6-4-5-7-19(18)13-21;1-14(8-15-6-7-26-12-15)22-19(25)21-13-20(23(2)3)10-16-4-5-18(24)9-17(16)11-20;1-15(10-16-8-9-25-13-16)22-19(24)21-14-20(23(2)3)11-17-6-4-5-7-18(17)12-20/h4-5,7,9,11,13,15,25H,6,8,10,12,14H2,1-3H3,(H2,22,23,26);4-7,9,11,14,16H,8,10,12-13,15H2,1-3H3,(H2,22,23,25);4-7,9,12,14,24H,8,10-11,13H2,1-3H3,(H2,21,22,25);4-9,13,15H,10-12,14H2,1-3H3,(H2,21,22,24)/t15-,21?;16-,21?;14-,20?;15-/m0000/s1
InChIKeyZUZCOYQIQOJDND-GEWIXLJASA-N
XLogP12.50
TPSA217.94 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.14
LogP ≤ 512.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 137497942
1-[[7-(dimethylamino)-3-hydroxy-5,6,8,9-tetrahydrobenzo[7]annulen-7-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-hydroxy-6-(methylamino)-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 160630879
1-[[2-(dimethylamino)-5-methoxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 137497943
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 95768876
ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine
CID 142533227
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97157179
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 96518518
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
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
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
(2S)-2-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea (CID 162227708) is 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2cc(O)ccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)CCc2ccccc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccc(O)cc2C1.C[C@@H](Cc1ccsc1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
The InChIKey is ZUZCOYQIQOJDND-GEWIXLJASA-N. The full InChI is InChI=1S/C21H29N3O2S.C21H29N3OS.C20H27N3O2S.C20H27N3OS/c1-15(10-16-7-9-27-13-16)23-20(26)22-14-21(24(2)3)8-6-17-11-19(25)5-4-18(17)12-21;1-16(12-17-9-11-26-14-17)23-20(25)22-15-21(24(2)3)10-8-18-6-4-5-7-19(18)13-21;1-14(8-15-6-7-26-12-15)22-19(25)21-13-20(23(2)3)10-16-4-5-18(24)9-17(16)11-20;1-15(10-16-8-9-25-13-16)22-19(24)21-14-20(23(2)3)11-17-6-4-5-7-18(17)12-20/h4-5,7,9,11,13,15,25H,6,8,10,12,14H2,1-3H3,(H2,22,23,26);4-7,9,11,14,16H,8,10,12-13,15H2,1-3H3,(H2,22,23,25);4-7,9,12,14,24H,8,10-11,13H2,1-3H3,(H2,21,22,25);4-9,13,15H,10-12,14H2,1-3H3,(H2,21,22,24)/t15-,21?;16-,21?;14-,20?;15-/m0000/s1.
What are the key properties of 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea?
1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea has a molecular weight of 1490.14 g/mol, XLogP of 12.50, 24 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-5-hydroxy-1,3-dihydroinden-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[[2-(dimethylamino)-6-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea is sourced from PubChem (CID 162227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).