6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide

C122H114BrN17O15S4 — CID 158116634

IUPAC6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2c(C)c(C#N)c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H23N3O3S.C22H21N3O3S.C21H19N3O3S.C20H19N3O2.C19H19N3O3S.C17H13BrN2O/c1-5-26-22(21(15-24)20-12-11-19(29-4)14-23(20)26)13-8-17-6-9-18(10-7-17)25-30(27,28)16(2)3;1-4-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24-29(26,27)5-2;1-4-24-20(19(14-22)18-11-10-17(27-2)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(3,25)26;1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-11-15(25-2)9-10-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;1-11-16(10-19)15-8-3-12(18)9-17(15)20(11)13-4-6-14(21-2)7-5-13/h6-7,9-12,14,16,25H,5H2,1-4H3;6-7,9-12,14,24H,4-5H2,1-3H3;5-6,8-11,13,23H,4H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;3-9H,1-2H3
InChIKeyFRBYREUNQYEIAM-UHFFFAOYSA-N
MW2266.53 g/mol
LogP23.44
Rot. Bonds25

About 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide

6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide (PubChem CID 158116634) has the molecular formula C122H114BrN17O15S4 and a molecular weight of 2266.53 g/mol. Its IUPAC name is 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide
PubChem CID158116634
Molecular FormulaC122H114BrN17O15S4
Molecular Weight2266.53 g/mol
Exact Mass2263.67
IUPAC Name6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide
SMILESCCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2c(C)c(C#N)c3ccc(Br)cc32)cc1
InChIInChI=1S/C23H23N3O3S.C22H21N3O3S.C21H19N3O3S.C20H19N3O2.C19H19N3O3S.C17H13BrN2O/c1-5-26-22(21(15-24)20-12-11-19(29-4)14-23(20)26)13-8-17-6-9-18(10-7-17)25-30(27,28)16(2)3;1-4-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24-29(26,27)5-2;1-4-24-20(19(14-22)18-11-10-17(27-2)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(3,25)26;1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-11-15(25-2)9-10-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;1-11-16(10-19)15-8-3-12(18)9-17(15)20(11)13-4-6-14(21-2)7-5-13/h6-7,9-12,14,16,25H,5H2,1-4H3;6-7,9-12,14,24H,4-5H2,1-3H3;5-6,8-11,13,23H,4H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;3-9H,1-2H3
InChIKeyFRBYREUNQYEIAM-UHFFFAOYSA-N
XLogP23.44
TPSA441.48 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.53
LogP ≤ 523.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;6-bromo-1-ethyl-2-methylindole-3-carbonitrile;6-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide
CID 158622636
1-ethyl-6-methoxy-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]ethynyl]indole-3-carbonitrile
CID 143184280
sodium;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;hydride
CID 157230403
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
CID 58693969
N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2,2-dimethylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide
CID 158660611
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxamide
CID 71681406

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide (CID 158116634) is 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide is CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2c(C)c(C#N)c3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is FRBYREUNQYEIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S.C22H21N3O3S.C21H19N3O3S.C20H19N3O2.C19H19N3O3S.C17H13BrN2O/c1-5-26-22(21(15-24)20-12-11-19(29-4)14-23(20)26)13-8-17-6-9-18(10-7-17)25-30(27,28)16(2)3;1-4-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24-29(26,27)5-2;1-4-24-20(19(14-22)18-11-10-17(27-2)13-21(18)24)12-7-15-5-8-16(9-6-15)23-28(3,25)26;1-4-23-19-11-16(25-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-11-15(25-2)9-10-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;1-11-16(10-19)15-8-3-12(18)9-17(15)20(11)13-4-6-14(21-2)7-5-13/h6-7,9-12,14,16,25H,5H2,1-4H3;6-7,9-12,14,24H,4-5H2,1-3H3;5-6,8-11,13,23H,4H2,1-3H3;5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;3-9H,1-2H3.
What are the key properties of 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide?
6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 2266.53 g/mol, XLogP of 23.44, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methoxyphenyl)-2-methylindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 158116634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).