1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea

C164H152F2N24O24S7 — CID 160720991

IUPAC1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
SMILESCCCC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C30H32N4O4S.C28H28N4O5S.C27H24N4O4S.C27H24N4O3S2.C26H23FN4O4S.C26H21FN4O4S/c1-3-10-26(35)20-24-14-9-15-25(19-24)34-18-17-31-29(34)27(21-23-12-5-4-6-13-23)32-30(36)33-39(37,38)28-16-8-7-11-22(28)2;1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;2*27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h4-9,11-19,27H,3,10,20-21H2,1-2H3,(H2,32,33,36);3-17,24H,18-19H2,1-2H3,(H2,30,31,34);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t27-;24-;2*23-;2*22-/m000000/s1
InChIKeyRTCFLRKDIGFPFQ-GCWLFHKSSA-N
MW3105.63 g/mol
LogP27.85
Rot. Bonds48

About 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea

1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 160720991) has the molecular formula C164H152F2N24O24S7 and a molecular weight of 3105.63 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
PubChem CID160720991
Molecular FormulaC164H152F2N24O24S7
Molecular Weight3105.63 g/mol
Exact Mass3102.94
IUPAC Name1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
SMILESCCCC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C30H32N4O4S.C28H28N4O5S.C27H24N4O4S.C27H24N4O3S2.C26H23FN4O4S.C26H21FN4O4S/c1-3-10-26(35)20-24-14-9-15-25(19-24)34-18-17-31-29(34)27(21-23-12-5-4-6-13-23)32-30(36)33-39(37,38)28-16-8-7-11-22(28)2;1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;2*27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h4-9,11-19,27H,3,10,20-21H2,1-2H3,(H2,32,33,36);3-17,24H,18-19H2,1-2H3,(H2,30,31,34);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t27-;24-;2*23-;2*22-/m000000/s1
InChIKeyRTCFLRKDIGFPFQ-GCWLFHKSSA-N
XLogP27.85
TPSA637.42 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.63
LogP ≤ 527.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-[1-[4-(1,1-difluoroethoxy)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;bis(1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea);1-[(1S)-1-[1-(4-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)imidazol-2-yl]ethyl]urea
CID 161015348
1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 157452875
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-(2-methyl-1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate
CID 158173536
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzylpyrazol-4-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 159112645
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrazol-4-yl)imidazol-2-yl]ethyl]urea
CID 159481876
1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 159913583
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(1-phenylpyrrol-3-yl)imidazol-2-yl]ethyl]urea
CID 160487734

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The IUPAC name of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea (CID 160720991) is 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea.
What is the SMILES notation for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The canonical SMILES for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is CCCC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.COC(=O)Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2sccc2c1.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2)NS(=O)(=O)c1ccccc1F.O=C(N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2occc2c1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
The InChIKey is RTCFLRKDIGFPFQ-GCWLFHKSSA-N. The full InChI is InChI=1S/C30H32N4O4S.C28H28N4O5S.C27H24N4O4S.C27H24N4O3S2.C26H23FN4O4S.C26H21FN4O4S/c1-3-10-26(35)20-24-14-9-15-25(19-24)34-18-17-31-29(34)27(21-23-12-5-4-6-13-23)32-30(36)33-39(37,38)28-16-8-7-11-22(28)2;1-20-9-6-7-14-25(20)38(35,36)31-28(34)30-24(18-21-10-4-3-5-11-21)27-29-15-16-32(27)23-13-8-12-22(17-23)19-26(33)37-2;2*1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;2*27-21-8-4-5-9-24(21)36(33,34)30-26(32)29-22(16-18-6-2-1-3-7-18)25-28-13-14-31(25)20-10-11-23-19(17-20)12-15-35-23/h4-9,11-19,27H,3,10,20-21H2,1-2H3,(H2,32,33,36);3-17,24H,18-19H2,1-2H3,(H2,30,31,34);2*2-16,18,23H,17H2,1H3,(H2,29,30,32);1-11,13-14,17,22H,12,15-16H2,(H2,29,30,32);1-15,17,22H,16H2,(H2,29,30,32)/t27-;24-;2*23-;2*22-/m000000/s1.
What are the key properties of 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea?
1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 3105.63 g/mol, XLogP of 27.85, 48 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(1-benzothiophen-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-fluorophenyl)sulfonylurea;methyl 2-[3-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]acetate;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 160720991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).