1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide

C185H162N20O21S2 — CID 159687816

IUPAC1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
SMILESCSc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(CN)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(N)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3CO)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1cccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)c1
InChIInChI=1S/C31H28N4O3.C31H27N3O5S.C31H27N3O4.C31H27N3O3S.C31H27N3O3.C30H26N4O3/c1-21(24-9-12-29(13-10-24)35(37)38)33-31(36)28-11-14-30-27(18-28)15-16-34(30)20-22-5-7-25(8-6-22)26-4-2-3-23(17-26)19-32;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(15-10-25)40(2,38)39;1-21(23-10-13-28(14-11-23)34(37)38)32-31(36)26-12-15-30-25(18-26)16-17-33(30)19-22-6-8-24(9-7-22)29-5-3-2-4-27(29)20-35;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(38-2)15-10-25;1-21-4-3-5-26(18-21)25-8-6-23(7-9-25)20-33-17-16-27-19-28(12-15-30(27)33)31(35)32-22(2)24-10-13-29(14-11-24)34(36)37;1-20(22-9-12-28(13-10-22)34(36)37)32-30(35)26-11-14-29-25(17-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(31)18-24/h2-18,21H,19-20,32H2,1H3,(H,33,36);3-19,21H,20H2,1-2H3,(H,32,35);2-18,21,35H,19-20H2,1H3,(H,32,36);3-19,21H,20H2,1-2H3,(H,32,35);3-19,22H,20H2,1-2H3,(H,32,35);2-18,20H,19,31H2,1H3,(H,32,35)/t4*21-;22-;20-/m000000/s1
InChIKeyMWAHHSHNYJFOIM-VJNGSTTGSA-N
MW3065.58 g/mol
LogP39.50
Rot. Bonds46

About 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide

1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide (PubChem CID 159687816) has the molecular formula C185H162N20O21S2 and a molecular weight of 3065.58 g/mol. Its IUPAC name is 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
PubChem CID159687816
Molecular FormulaC185H162N20O21S2
Molecular Weight3065.58 g/mol
Exact Mass3063.17
IUPAC Name1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
SMILESCSc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(CN)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(N)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3CO)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1cccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)c1
InChIInChI=1S/C31H28N4O3.C31H27N3O5S.C31H27N3O4.C31H27N3O3S.C31H27N3O3.C30H26N4O3/c1-21(24-9-12-29(13-10-24)35(37)38)33-31(36)28-11-14-30-27(18-28)15-16-34(30)20-22-5-7-25(8-6-22)26-4-2-3-23(17-26)19-32;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(15-10-25)40(2,38)39;1-21(23-10-13-28(14-11-23)34(37)38)32-31(36)26-12-15-30-25(18-26)16-17-33(30)19-22-6-8-24(9-7-22)29-5-3-2-4-27(29)20-35;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(38-2)15-10-25;1-21-4-3-5-26(18-21)25-8-6-23(7-9-25)20-33-17-16-27-19-28(12-15-30(27)33)31(35)32-22(2)24-10-13-29(14-11-24)34(36)37;1-20(22-9-12-28(13-10-22)34(36)37)32-30(35)26-11-14-29-25(17-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(31)18-24/h2-18,21H,19-20,32H2,1H3,(H,33,36);3-19,21H,20H2,1-2H3,(H,32,35);2-18,21,35H,19-20H2,1H3,(H,32,36);3-19,21H,20H2,1-2H3,(H,32,35);3-19,22H,20H2,1-2H3,(H,32,35);2-18,20H,19,31H2,1H3,(H,32,35)/t4*21-;22-;20-/m000000/s1
InChIKeyMWAHHSHNYJFOIM-VJNGSTTGSA-N
XLogP39.50
TPSA569.43 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003065.58
LogP ≤ 539.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide with MolForge

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Related Compounds

bis(1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide);bis(1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide);bis(1-ethyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]indole-5-carboxamide)
CID 157771897
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
carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 157552183
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-(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;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157610680
2-[4-[[5-(benzhydrylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(2R)-2-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-fluorophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 157638677
2-[4-[[5-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-iodophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-isocyanophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158026612
2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158220906
1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;tert-butyl 2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;tert-butyl 3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
CID 158308338
carbon dioxide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158450507
2-[4-[[5-(benzhydrylcarbamoyl)-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(2R)-2-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158743319
CID 158771764
CID 158771764
carbon dioxide;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158798543

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?
The IUPAC name of 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide (CID 159687816) is 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide.
What is the SMILES notation for 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?
The canonical SMILES for 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide is CSc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(CN)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(N)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3CO)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1cccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)c1.
What is the InChIKey of 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?
The InChIKey is MWAHHSHNYJFOIM-VJNGSTTGSA-N. The full InChI is InChI=1S/C31H28N4O3.C31H27N3O5S.C31H27N3O4.C31H27N3O3S.C31H27N3O3.C30H26N4O3/c1-21(24-9-12-29(13-10-24)35(37)38)33-31(36)28-11-14-30-27(18-28)15-16-34(30)20-22-5-7-25(8-6-22)26-4-2-3-23(17-26)19-32;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(15-10-25)40(2,38)39;1-21(23-10-13-28(14-11-23)34(37)38)32-31(36)26-12-15-30-25(18-26)16-17-33(30)19-22-6-8-24(9-7-22)29-5-3-2-4-27(29)20-35;1-21(23-7-12-28(13-8-23)34(36)37)32-31(35)27-11-16-30-26(19-27)17-18-33(30)20-22-3-5-24(6-4-22)25-9-14-29(38-2)15-10-25;1-21-4-3-5-26(18-21)25-8-6-23(7-9-25)20-33-17-16-27-19-28(12-15-30(27)33)31(35)32-22(2)24-10-13-29(14-11-24)34(36)37;1-20(22-9-12-28(13-10-22)34(36)37)32-30(35)26-11-14-29-25(17-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(31)18-24/h2-18,21H,19-20,32H2,1H3,(H,33,36);3-19,21H,20H2,1-2H3,(H,32,35);2-18,21,35H,19-20H2,1H3,(H,32,36);3-19,21H,20H2,1-2H3,(H,32,35);3-19,22H,20H2,1-2H3,(H,32,35);2-18,20H,19,31H2,1H3,(H,32,35)/t4*21-;22-;20-/m000000/s1.
What are the key properties of 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide?
1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide has a molecular weight of 3065.58 g/mol, XLogP of 39.50, 46 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 159687816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).