1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

C175H167N11O18S — CID 159610512

About 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 159610512) has the molecular formula C175H167N11O18S and a molecular weight of 2744.39 g/mol. Its IUPAC name is 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
• PubChem CID: 159610512
• Molecular Formula: C175H167N11O18S
• Molecular Weight: 2744.39 g/mol
• Exact Mass: 2742.22
• IUPAC Name: 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
• SMILES: CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3COc4ccccc4C3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc12.Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1
• InChI: InChI=1S/C37H39N3O4S.C36H36N2O3.2C34H30N2O4.C34H32N2O3/c1-23(2)30-10-9-11-31(20-30)25(4)38-37(42)32-18-19-35-34(21-32)24(3)26(5)40(35)22-28-14-16-29(17-15-28)33-12-7-8-13-36(33)45(43,44)39-27(6)41;1-5-8-26-11-15-28(16-12-26)24(3)37-35(39)30-19-20-34-33(21-30)23(2)25(4)38(34)22-27-13-17-29(18-14-27)31-9-6-7-10-32(31)36(40)41;2*1-21-22(2)36(19-23-11-13-24(14-12-23)28-8-4-5-9-29(28)34(38)39)31-16-15-26(18-30(21)31)33(37)35-27-17-25-7-3-6-10-32(25)40-20-27;1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39/h7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-7,9-21,24H,5,8,22H2,1-4H3,(H,37,39)(H,40,41);2*3-16,18,27H,17,19-20H2,1-2H3,(H,35,37)(H,38,39);5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39)/t25-;24-;27-;;23-/m000.0/s1
• InChIKey: MMQCSFAASHMDKW-HGVOIQHPSA-N
• XLogP: 35.81
• TPSA: 401.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 37
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2744.39
LogP ≤ 5	35.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?

The IUPAC name of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid (CID 159610512) is 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid.

What is the SMILES notation for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?

The canonical SMILES for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid is CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3COc4ccccc4C3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc12.Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.

What is the InChIKey of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?

The InChIKey is MMQCSFAASHMDKW-HGVOIQHPSA-N. The full InChI is InChI=1S/C37H39N3O4S.C36H36N2O3.2C34H30N2O4.C34H32N2O3/c1-23(2)30-10-9-11-31(20-30)25(4)38-37(42)32-18-19-35-34(21-32)24(3)26(5)40(35)22-28-14-16-29(17-15-28)33-12-7-8-13-36(33)45(43,44)39-27(6)41;1-5-8-26-11-15-28(16-12-26)24(3)37-35(39)30-19-20-34-33(21-30)23(2)25(4)38(34)22-27-13-17-29(18-14-27)31-9-6-7-10-32(31)36(40)41;2*1-21-22(2)36(19-23-11-13-24(14-12-23)28-8-4-5-9-29(28)34(38)39)31-16-15-26(18-30(21)31)33(37)35-27-17-25-7-3-6-10-32(25)40-20-27;1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39/h7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-7,9-21,24H,5,8,22H2,1-4H3,(H,37,39)(H,40,41);2*3-16,18,27H,17,19-20H2,1-2H3,(H,35,37)(H,38,39);5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39)/t25-;24-;27-;;23-/m000.0/s1.

What are the key properties of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?

1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 2744.39 g/mol, XLogP of 35.81, 37 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(3,4-dihydro-2H-chromen-3-ylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 159610512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).