N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate

C132H140N22O16S2 — CID 161177485

About N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate

N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (PubChem CID 161177485) has the molecular formula C132H140N22O16S2 and a molecular weight of 2354.84 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
• PubChem CID: 161177485
• Molecular Formula: C132H140N22O16S2
• Molecular Weight: 2354.84 g/mol
• Exact Mass: 2353.03
• IUPAC Name: N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
• SMILES: CCCNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(O)cc21
• InChI: InChI=1S/C28H35N5O2.C24H26N4O2.C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C17H15N3O/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-3-28-22-15-19(30-2)9-10-20(22)21(16-25)23(28)17-5-7-18(8-6-17)24(29)27-13-4-11-26-12-14-27;1-3-25-18-10-15(28-2)8-9-16(18)17(11-22)20(25)13-4-6-14(7-5-13)21(27)24-12-19(23)26;1-4-24-19-11-15(28-2)7-10-17(19)18(12-22)21(24)14-5-8-16(9-6-14)30(26,27)23-13-20(25)29-3;1-4-12-23-28(25,26)17-9-6-15(7-10-17)21-19(14-22)18-11-8-16(27-3)13-20(18)24(21)5-2;1-2-20-16-9-13(21)6-7-14(16)15(10-18)17(20)11-4-3-5-12(19)8-11/h7-12,19H,5-6,13-18H2,1-4H3;5-10,15,26H,3-4,11-14H2,1-2H3;4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);5-11,23H,4,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;3-9,21H,2,19H2,1H3
• InChIKey: URZUFYXZJRPAID-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 514.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2354.84
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?

The IUPAC name of N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (CID 161177485) is N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?

The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate is CCCNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(O)cc21.

What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?

The InChIKey is URZUFYXZJRPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2.C24H26N4O2.C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C17H15N3O/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-3-28-22-15-19(30-2)9-10-20(22)21(16-25)23(28)17-5-7-18(8-6-17)24(29)27-13-4-11-26-12-14-27;1-3-25-18-10-15(28-2)8-9-16(18)17(11-22)20(25)13-4-6-14(7-5-13)21(27)24-12-19(23)26;1-4-24-19-11-15(28-2)7-10-17(19)18(12-22)21(24)14-5-8-16(9-6-14)30(26,27)23-13-20(25)29-3;1-4-12-23-28(25,26)17-9-6-15(7-10-17)21-19(14-22)18-11-8-16(27-3)13-20(18)24(21)5-2;1-2-20-16-9-13(21)6-7-14(16)15(10-18)17(20)11-4-3-5-12(19)8-11/h7-12,19H,5-6,13-18H2,1-4H3;5-10,15,26H,3-4,11-14H2,1-2H3;4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);5-11,23H,4,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;3-9,21H,2,19H2,1H3.

What are the key properties of N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?

N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate has a molecular weight of 2354.84 g/mol, XLogP of 20.03, 34 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 161177485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).