N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

C124H124N18O15S2 — CID 158075094

About N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158075094) has the molecular formula C124H124N18O15S2 and a molecular weight of 2170.60 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 158075094
• Molecular Formula: C124H124N18O15S2
• Molecular Weight: 2170.60 g/mol
• Exact Mass: 2168.89
• IUPAC Name: N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2cccc(NC(=O)OC3CCCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OCC3CCCC3)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C26H25N3O3S.C25H23N3O3S.C25H27N3O3.C24H24N6O3.C24H25N3O3/c1-4-29-25-14-11-20(19-7-6-8-22(15-19)32-3)16-23(25)24(17-27)26(29)18-9-12-21(13-10-18)28-33(30,31)5-2;1-4-28-24-13-10-19(18-6-5-7-21(14-18)31-2)15-22(24)23(16-26)25(28)17-8-11-20(12-9-17)27-32(3,29)30;1-3-28-23-14-20(30-2)11-12-21(23)22(15-26)24(28)18-9-6-10-19(13-18)27-25(29)31-16-17-7-4-5-8-17;1-3-30-22-13-19(33-11-10-29-16-26-15-27-29)8-9-20(22)21(14-25)23(30)17-6-5-7-18(12-17)28-24(31)32-4-2;1-3-27-22-14-19(29-2)11-12-20(22)21(15-25)23(27)16-7-6-8-17(13-16)26-24(28)30-18-9-4-5-10-18/h6-16,28H,4-5H2,1-3H3;5-15,27H,4H2,1-3H3;6,9-14,17H,3-5,7-8,16H2,1-2H3,(H,27,29);5-9,12-13,15-16H,3-4,10-11H2,1-2H3,(H,28,31);6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28)
• InChIKey: FMGRNQCJRCTIDZ-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 427.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.60
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 158075094) is N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2cccc(NC(=O)OC3CCCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OCC3CCCC3)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is FMGRNQCJRCTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S.C25H23N3O3S.C25H27N3O3.C24H24N6O3.C24H25N3O3/c1-4-29-25-14-11-20(19-7-6-8-22(15-19)32-3)16-23(25)24(17-27)26(29)18-9-12-21(13-10-18)28-33(30,31)5-2;1-4-28-24-13-10-19(18-6-5-7-21(14-18)31-2)15-22(24)23(16-26)25(28)17-8-11-20(12-9-17)27-32(3,29)30;1-3-28-23-14-20(30-2)11-12-21(23)22(15-26)24(28)18-9-6-10-19(13-18)27-25(29)31-16-17-7-4-5-8-17;1-3-30-22-13-19(33-11-10-29-16-26-15-27-29)8-9-20(22)21(14-25)23(30)17-6-5-7-18(12-17)28-24(31)32-4-2;1-3-27-22-14-19(29-2)11-12-20(22)21(15-25)23(27)16-7-6-8-17(13-16)26-24(28)30-18-9-4-5-10-18/h6-16,28H,4-5H2,1-3H3;5-15,27H,4H2,1-3H3;6,9-14,17H,3-5,7-8,16H2,1-2H3,(H,27,29);5-9,12-13,15-16H,3-4,10-11H2,1-2H3,(H,28,31);6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28).

What are the key properties of N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?

N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2170.60 g/mol, XLogP of 26.97, 32 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]phenyl]methanesulfonamide;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;cyclopentylmethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158075094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).