N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile

C138H124F6N18O14S3 — CID 158199942

About N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile

N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 158199942) has the molecular formula C138H124F6N18O14S3 and a molecular weight of 2468.81 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
• PubChem CID: 158199942
• Molecular Formula: C138H124F6N18O14S3
• Molecular Weight: 2468.81 g/mol
• Exact Mass: 2466.86
• IUPAC Name: N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21
• InChI: InChI=1S/C22H21N3O3S.C21H15F3N2O.C21H23N3O3S.C21H17N3O2.C21H18N2O2.C20H21N3O3S.C12H9F3N2/c1-5-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24(2)29(4,26)27;1-3-26-19-11-9-16(27-2)12-17(19)18(13-25)20(26)10-6-14-4-7-15(8-5-14)21(22,23)24;1-5-24-20-13-17(27-4)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23(3)28(25,26)6-2;1-3-24-20(19(13-22)18-10-9-17(26)12-21(18)24)11-6-15-4-7-16(8-5-15)23-14(2)25;1-4-23-20-12-10-17(25-3)13-18(20)19(14-22)21(23)11-7-15-5-8-16(24-2)9-6-15;1-5-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22(2)27(4,24)25;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h6-7,9-12,14H,5H2,1-4H3;4-5,7-9,11-12H,3H2,1-2H3;7-13H,5-6H2,1-4H3;4-5,7-10,12,26H,3H2,1-2H3,(H,23,25);5-6,8-10,12-13H,4H2,1-3H3;6-12H,5H2,1-4H3;3-5,7H,2H2,1H3
• InChIKey: GAUPSFWHDXQOAM-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 417.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2468.81
LogP ≤ 5	26.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?

The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile (CID 158199942) is N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile.

What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?

The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile is CCn1c(-c2ccc(N(C)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(C(F)(F)F)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(C#Cc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2cc(OC)ccc21.CCn1cc(C#N)c2cc(C(F)(F)F)ccc21.

What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?

The InChIKey is GAUPSFWHDXQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S.C21H15F3N2O.C21H23N3O3S.C21H17N3O2.C21H18N2O2.C20H21N3O3S.C12H9F3N2/c1-5-25-21(20(15-23)19-12-11-18(28-3)14-22(19)25)13-8-16-6-9-17(10-7-16)24(2)29(4,26)27;1-3-26-19-11-9-16(27-2)12-17(19)18(13-25)20(26)10-6-14-4-7-15(8-5-14)21(22,23)24;1-5-24-20-13-17(27-4)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23(3)28(25,26)6-2;1-3-24-20(19(13-22)18-10-9-17(26)12-21(18)24)11-6-15-4-7-16(8-5-15)23-14(2)25;1-4-23-20-12-10-17(25-3)13-18(20)19(14-22)21(23)11-7-15-5-8-16(24-2)9-6-15;1-5-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22(2)27(4,24)25;1-2-17-7-8(6-16)10-5-9(12(13,14)15)3-4-11(10)17/h6-7,9-12,14H,5H2,1-4H3;4-5,7-9,11-12H,3H2,1-2H3;7-13H,5-6H2,1-4H3;4-5,7-10,12,26H,3H2,1-2H3,(H,23,25);5-6,8-10,12-13H,4H2,1-3H3;6-12H,5H2,1-4H3;3-5,7H,2H2,1H3.

What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile?

N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2468.81 g/mol, XLogP of 26.99, 23 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;1-ethyl-5-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 158199942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).