N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate

C110H114N20O17S3 — CID 159074710

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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate (PubChem CID 159074710) has the molecular formula C110H114N20O17S3 and a molecular weight of 2084.45 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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate
• PubChem CID: 159074710
• Molecular Formula: C110H114N20O17S3
• Molecular Weight: 2084.45 g/mol
• Exact Mass: 2082.78
• 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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate
• SMILES: CCCNS(=O)(=O)c1c(C#N)c2ccc(OC)cc2n1CC.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(O)cc21.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(S(=O)(=O)NCC(=O)OC)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C24H26N4O2.C21H20N4O3.C18H17N3O3S.C17H15N3O.C15H17N3O5S.C15H19N3O3S/c1-3-28-22-15-19(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;1-3-21-17-10-13(24-2)7-8-15(17)16(11-19)18(21)12-5-4-6-14(9-12)25(20,22)23;1-2-20-16-9-13(21)6-7-14(16)15(10-18)17(20)11-4-3-5-12(19)8-11;1-4-18-13-7-10(22-2)5-6-11(13)12(8-16)15(18)24(20,21)17-9-14(19)23-3;1-4-8-17-22(19,20)15-13(10-16)12-7-6-11(21-3)9-14(12)18(15)5-2/h5-10,15,26H,3-4,11-14H2,1-2H3;4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);4-10H,3H2,1-2H3,(H2,20,22,23);3-9,21H,2,19H2,1H3;5-7,17H,4,9H2,1-3H3;6-7,9,17H,4-5,8H2,1-3H3
• InChIKey: KACIDYVYVZUELM-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 548.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.45
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate (CID 159074710) 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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate is CCCNS(=O)(=O)c1c(C#N)c2ccc(OC)cc2n1CC.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(O)cc21.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(S(=O)(=O)NCC(=O)OC)c(C#N)c2ccc(OC)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate?

The InChIKey is KACIDYVYVZUELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C21H20N4O3.C18H17N3O3S.C17H15N3O.C15H17N3O5S.C15H19N3O3S/c1-3-28-22-15-19(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;1-3-21-17-10-13(24-2)7-8-15(17)16(11-19)18(21)12-5-4-6-14(9-12)25(20,22)23;1-2-20-16-9-13(21)6-7-14(16)15(10-18)17(20)11-4-3-5-12(19)8-11;1-4-18-13-7-10(22-2)5-6-11(13)12(8-16)15(18)24(20,21)17-9-14(19)23-3;1-4-8-17-22(19,20)15-13(10-16)12-7-6-11(21-3)9-14(12)18(15)5-2/h5-10,15,26H,3-4,11-14H2,1-2H3;4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);4-10H,3H2,1-2H3,(H2,20,22,23);3-9,21H,2,19H2,1H3;5-7,17H,4,9H2,1-3H3;6-7,9,17H,4-5,8H2,1-3H3.

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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate has a molecular weight of 2084.45 g/mol, XLogP of 15.63, 28 rotatable bonds, 8 hydrogen bond donors, and 31 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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 159074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).