2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide

C109H115ClF3N17O14S5 — CID 159329936

About 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide

2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide (PubChem CID 159329936) has the molecular formula C109H115ClF3N17O14S5 and a molecular weight of 2140.01 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
• PubChem CID: 159329936
• Molecular Formula: C109H115ClF3N17O14S5
• Molecular Weight: 2140.01 g/mol
• Exact Mass: 2137.71
• IUPAC Name: 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
• SMILES: CCn1c(-c2ccc(N(C)S(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCN3CCSCC3)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC3CCCC3)c2c1
• InChI: InChI=1S/C24H28N4O4S.C24H28N4O3S2.C23H25N3O3S.C20H20ClN3O3S.C18H14F3N3O/c2*1-3-28-23-16-20(31-2)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(29,30)15-12-27-10-13-32-14-11-27;1-29-19-11-12-20-21(14-24)23(17-7-9-18(10-8-17)25-30(2,27)28)26(22(20)13-19)15-16-5-3-4-6-16;1-4-24-19-11-16(27-3)9-10-17(19)18(12-22)20(24)14-5-7-15(8-6-14)23(2)28(25,26)13-21;1-2-24-16-9-13(25-18(19,20)21)7-8-14(16)15(10-22)17(24)11-3-5-12(23)6-4-11/h2*4-9,16,26H,3,10-15H2,1-2H3;7-13,16,25H,3-6,15H2,1-2H3;5-11H,4,13H2,1-3H3;3-9H,2,23H2,1H3
• InChIKey: LEVRHHFVBWRLGO-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 407.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.01
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide?

The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide (CID 159329936) is 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide.

What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide?

The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide is CCn1c(-c2ccc(N(C)S(=O)(=O)CCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CCN3CCSCC3)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC3CCCC3)c2c1.

What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide?

The InChIKey is LEVRHHFVBWRLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S.C24H28N4O3S2.C23H25N3O3S.C20H20ClN3O3S.C18H14F3N3O/c2*1-3-28-23-16-20(31-2)8-9-21(23)22(17-25)24(28)18-4-6-19(7-5-18)26-33(29,30)15-12-27-10-13-32-14-11-27;1-29-19-11-12-20-21(14-24)23(17-7-9-18(10-8-17)25-30(2,27)28)26(22(20)13-19)15-16-5-3-4-6-16;1-4-24-19-11-16(27-3)9-10-17(19)18(12-22)20(24)14-5-7-15(8-6-14)23(2)28(25,26)13-21;1-2-24-16-9-13(25-18(19,20)21)7-8-14(16)15(10-22)17(24)11-3-5-12(23)6-4-11/h2*4-9,16,26H,3,10-15H2,1-2H3;7-13,16,25H,3-6,15H2,1-2H3;5-11H,4,13H2,1-3H3;3-9H,2,23H2,1H3.

What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide?

2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide has a molecular weight of 2140.01 g/mol, XLogP of 20.88, 31 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide is sourced from PubChem (CID 159329936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).