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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate

C122H122N20O17S3 — CID 160505230

IUPACN-(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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
SMILESCCCNS(=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)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.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H26N4O2.C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C17H15N3O/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;1-4-24-19-11-15(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;1-3-21-17-10-13(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/h5-10,15,26H,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;4-10H,3H2,1-2H3,(H2,20,22,23);3-9,21H,2,19H2,1H3
InChIKeyQSHSMSHCXQZDDT-UHFFFAOYSA-N
MW2236.64 g/mol
LogP18.97
Rot. Bonds30

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;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;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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (PubChem CID 160505230) has the molecular formula C122H122N20O17S3 and a molecular weight of 2236.64 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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound NameN-(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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
PubChem CID160505230
Molecular FormulaC122H122N20O17S3
Molecular Weight2236.64 g/mol
Exact Mass2234.85
IUPAC NameN-(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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
SMILESCCCNS(=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)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.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H26N4O2.C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C17H15N3O/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;1-4-24-19-11-15(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;1-3-21-17-10-13(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/h5-10,15,26H,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;4-10H,3H2,1-2H3,(H2,20,22,23);3-9,21H,2,19H2,1H3
InChIKeyQSHSMSHCXQZDDT-UHFFFAOYSA-N
XLogP18.97
TPSA548.05 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.64
LogP ≤ 518.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate with MolForge

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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;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;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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (CID 160505230) 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;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;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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;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)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.CCn1c(-c2cccc(S(N)(=O)=O)c2)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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?
The InChIKey is QSHSMSHCXQZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C17H15N3O/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;1-4-24-19-11-15(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;1-3-21-17-10-13(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/h5-10,15,26H,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;4-10H,3H2,1-2H3,(H2,20,22,23);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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;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;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate has a molecular weight of 2236.64 g/mol, XLogP of 18.97, 30 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;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;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 160505230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).