3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide

C127H141N19O17S4 — CID 158929465

IUPAC3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)NCCOC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2cccc(NS(=O)(=O)N3CCCC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O2.C22H24N4O3S.C22H26N4O3S.C22H23N3O3.2C18H20N2O3S/c1-4-29-23-11-10-20(31-3)16-21(23)22(17-26)24(29)18-6-8-19(9-7-18)25(30)28-13-5-12-27(2)14-15-28;1-3-26-21-14-18(29-2)9-10-19(21)20(15-23)22(26)16-7-6-8-17(13-16)24-30(27,28)25-11-4-5-12-25;1-5-25(6-2)30(27,28)24-17-10-8-9-16(13-17)22-20(15-23)19-12-11-18(29-4)14-21(19)26(22)7-3;1-4-25-20-10-9-17(28-3)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-12-27-2;1-4-24(21,22)19-15-7-5-13(6-8-15)18-12-14-11-16(23-3)9-10-17(14)20(18)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h6-11,16H,4-5,12-15H2,1-3H3;6-10,13-14,24H,3-5,11-12H2,1-2H3;8-14,24H,5-7H2,1-4H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);2*5-12,19H,4H2,1-3H3
InChIKeyJIWCAMAYIQCHQQ-UHFFFAOYSA-N
MW2333.91 g/mol
LogP22.97
Rot. Bonds35

About 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide

3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 158929465) has the molecular formula C127H141N19O17S4 and a molecular weight of 2333.91 g/mol. Its IUPAC name is 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide
PubChem CID158929465
Molecular FormulaC127H141N19O17S4
Molecular Weight2333.91 g/mol
Exact Mass2331.96
IUPAC Name3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)NCCOC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2cccc(NS(=O)(=O)N3CCCC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H28N4O2.C22H24N4O3S.C22H26N4O3S.C22H23N3O3.2C18H20N2O3S/c1-4-29-23-11-10-20(31-3)16-21(23)22(17-26)24(29)18-6-8-19(9-7-18)25(30)28-13-5-12-27(2)14-15-28;1-3-26-21-14-18(29-2)9-10-19(21)20(15-23)22(26)16-7-6-8-17(13-16)24-30(27,28)25-11-4-5-12-25;1-5-25(6-2)30(27,28)24-17-10-8-9-16(13-17)22-20(15-23)19-12-11-18(29-4)14-21(19)26(22)7-3;1-4-25-20-10-9-17(28-3)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-12-27-2;1-4-24(21,22)19-15-7-5-13(6-8-15)18-12-14-11-16(23-3)9-10-17(14)20(18)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h6-11,16H,4-5,12-15H2,1-3H3;6-10,13-14,24H,3-5,11-12H2,1-2H3;8-14,24H,5-7H2,1-4H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);2*5-12,19H,4H2,1-3H3
InChIKeyJIWCAMAYIQCHQQ-UHFFFAOYSA-N
XLogP22.97
TPSA433.16 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002333.91
LogP ≤ 522.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide (CID 158929465) is 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide is CCN(CC)S(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)NCCOC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2cccc(NS(=O)(=O)N3CCCC3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is JIWCAMAYIQCHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C22H24N4O3S.C22H26N4O3S.C22H23N3O3.2C18H20N2O3S/c1-4-29-23-11-10-20(31-3)16-21(23)22(17-26)24(29)18-6-8-19(9-7-18)25(30)28-13-5-12-27(2)14-15-28;1-3-26-21-14-18(29-2)9-10-19(21)20(15-23)22(26)16-7-6-8-17(13-16)24-30(27,28)25-11-4-5-12-25;1-5-25(6-2)30(27,28)24-17-10-8-9-16(13-17)22-20(15-23)19-12-11-18(29-4)14-21(19)26(22)7-3;1-4-25-20-10-9-17(28-3)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-12-27-2;1-4-24(21,22)19-15-7-5-13(6-8-15)18-12-14-11-16(23-3)9-10-17(14)20(18)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h6-11,16H,4-5,12-15H2,1-3H3;6-10,13-14,24H,3-5,11-12H2,1-2H3;8-14,24H,5-7H2,1-4H3;5-10,13H,4,11-12H2,1-3H3,(H,24,26);2*5-12,19H,4H2,1-3H3.
What are the key properties of 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide?
3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 2333.91 g/mol, XLogP of 22.97, 35 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-(2-methoxyethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]pyrrolidine-1-sulfonamide;1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 158929465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).