ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide

C187H162N18O25S — CID 157396345

About ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide

ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide (PubChem CID 157396345) has the molecular formula C187H162N18O25S and a molecular weight of 3093.52 g/mol. Its IUPAC name is ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
• PubChem CID: 157396345
• Molecular Formula: C187H162N18O25S
• Molecular Weight: 3093.52 g/mol
• Exact Mass: 3091.17
• IUPAC Name: ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
• SMILES: CCOC(=O)c1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1.COc1cccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)c1.COc1ccccc1-c1ccc(Cn2ccc3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3O)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3S(C)(=O)=O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1ccccc1-c1ccc(Cn2ccc3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)cc1
• InChI: InChI=1S/C33H29N3O5.C31H27N3O5S.2C31H27N3O4.C31H27N3O3.C30H25N3O4/c1-3-41-33(38)27-10-8-26(9-11-27)25-6-4-23(5-7-25)21-35-19-18-28-20-29(14-17-31(28)35)32(37)34-22(2)24-12-15-30(16-13-24)36(39)40;1-21(23-11-14-27(15-12-23)34(36)37)32-31(35)26-13-16-29-25(19-26)17-18-33(29)20-22-7-9-24(10-8-22)28-5-3-4-6-30(28)40(2,38)39;1-21(23-10-13-28(14-11-23)34(36)37)32-31(35)27-12-15-30-26(18-27)16-17-33(30)20-22-6-8-24(9-7-22)25-4-3-5-29(19-25)38-2;1-21(23-11-14-27(15-12-23)34(36)37)32-31(35)26-13-16-29-25(19-26)17-18-33(29)20-22-7-9-24(10-8-22)28-5-3-4-6-30(28)38-2;1-21-5-3-4-6-29(21)25-9-7-23(8-10-25)20-33-18-17-26-19-27(13-16-30(26)33)31(35)32-22(2)24-11-14-28(15-12-24)34(36)37;1-20(22-10-13-26(14-11-22)33(36)37)31-30(35)25-12-15-28-24(18-25)16-17-32(28)19-21-6-8-23(9-7-21)27-4-2-3-5-29(27)34/h4-20,22H,3,21H2,1-2H3,(H,34,37);3-19,21H,20H2,1-2H3,(H,32,35);2*3-19,21H,20H2,1-2H3,(H,32,35);3-19,22H,20H2,1-2H3,(H,32,35);2-18,20,34H,19H2,1H3,(H,31,35)/t22-;3*21-;22-;20-/m000000/s1
• InChIKey: BMPOKIMGTZKIOH-CWMCXHNWSA-N
• XLogP: 40.15
• TPSA: 562.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 47
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3093.52
LogP ≤ 5	40.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?

The IUPAC name of ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide (CID 157396345) is ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide.

What is the SMILES notation for ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?

The canonical SMILES for ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide is CCOC(=O)c1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1.COc1cccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)c1.COc1ccccc1-c1ccc(Cn2ccc3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3O)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3S(C)(=O)=O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1ccccc1-c1ccc(Cn2ccc3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)cc1.

What is the InChIKey of ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?

The InChIKey is BMPOKIMGTZKIOH-CWMCXHNWSA-N. The full InChI is InChI=1S/C33H29N3O5.C31H27N3O5S.2C31H27N3O4.C31H27N3O3.C30H25N3O4/c1-3-41-33(38)27-10-8-26(9-11-27)25-6-4-23(5-7-25)21-35-19-18-28-20-29(14-17-31(28)35)32(37)34-22(2)24-12-15-30(16-13-24)36(39)40;1-21(23-11-14-27(15-12-23)34(36)37)32-31(35)26-13-16-29-25(19-26)17-18-33(29)20-22-7-9-24(10-8-22)28-5-3-4-6-30(28)40(2,38)39;1-21(23-10-13-28(14-11-23)34(36)37)32-31(35)27-12-15-30-26(18-27)16-17-33(30)20-22-6-8-24(9-7-22)25-4-3-5-29(19-25)38-2;1-21(23-11-14-27(15-12-23)34(36)37)32-31(35)26-13-16-29-25(19-26)17-18-33(29)20-22-7-9-24(10-8-22)28-5-3-4-6-30(28)38-2;1-21-5-3-4-6-29(21)25-9-7-23(8-10-25)20-33-18-17-26-19-27(13-16-30(26)33)31(35)32-22(2)24-11-14-28(15-12-24)34(36)37;1-20(22-10-13-26(14-11-22)33(36)37)31-30(35)25-12-15-28-24(18-25)16-17-32(28)19-21-6-8-23(9-7-21)27-4-2-3-5-29(27)34/h4-20,22H,3,21H2,1-2H3,(H,34,37);3-19,21H,20H2,1-2H3,(H,32,35);2*3-19,21H,20H2,1-2H3,(H,32,35);3-19,22H,20H2,1-2H3,(H,32,35);2-18,20,34H,19H2,1H3,(H,31,35)/t22-;3*21-;22-;20-/m000000/s1.

What are the key properties of ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?

ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide has a molecular weight of 3093.52 g/mol, XLogP of 40.15, 47 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-(2-hydroxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(2-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 157396345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).