N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile

C137H139F3N18O18S6 — CID 158742338

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile (PubChem CID 158742338) has the molecular formula C137H139F3N18O18S6 and a molecular weight of 2575.12 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile
• PubChem CID: 158742338
• Molecular Formula: C137H139F3N18O18S6
• Molecular Weight: 2575.12 g/mol
• Exact Mass: 2572.88
• IUPAC Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile
• SMILES: CCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC(C)C)c2c1.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NS(C)(=O)=O)c3)n(C3CCCC3)c2c1
• InChI: InChI=1S/C27H27N3O3S.C23H23N3O3S.2C23H25N3O3S.C22H23N3O3S.C19H16F3N3O3S/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-29-19-9-10-20-21(14-24)23(25(22(20)13-19)15-16-3-4-16)17-5-7-18(8-6-17)26-11-2-12-30(26,27)28;1-16(2)15-25-22-13-19(29-3)9-10-20(22)21(14-24)23(25)17-5-7-18(8-6-17)26-11-4-12-30(26,27)28;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-28-18-10-11-19-20(14-23)22(25(21(19)13-18)17-8-3-4-9-17)15-6-5-7-16(12-15)24-29(2,26)27;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h5-15,17,29H,3-4,16,19H2,1-2H3;5-10,13,16H,2-4,11-12,15H2,1H3;5-10,13,16H,4,11-12,15H2,1-3H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;5-7,10-13,17,24H,3-4,8-9H2,1-2H3;4-10,24H,3H2,1-2H3
• InChIKey: IMLKFACTBRGJLJ-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 487.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.12
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile?

The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile (CID 158742338) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile.

What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile?

The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile is CCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC(C)C)c2c1.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NS(C)(=O)=O)c3)n(C3CCCC3)c2c1.

What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile?

The InChIKey is IMLKFACTBRGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S.C23H23N3O3S.2C23H25N3O3S.C22H23N3O3S.C19H16F3N3O3S/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-29-19-9-10-20-21(14-24)23(25(22(20)13-19)15-16-3-4-16)17-5-7-18(8-6-17)26-11-2-12-30(26,27)28;1-16(2)15-25-22-13-19(29-3)9-10-20(22)21(14-24)23(25)17-5-7-18(8-6-17)26-11-4-12-30(26,27)28;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-28-18-10-11-19-20(14-23)22(25(21(19)13-18)17-8-3-4-9-17)15-6-5-7-16(12-15)24-29(2,26)27;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h5-15,17,29H,3-4,16,19H2,1-2H3;5-10,13,16H,2-4,11-12,15H2,1H3;5-10,13,16H,4,11-12,15H2,1-3H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;5-7,10-13,17,24H,3-4,8-9H2,1-2H3;4-10,24H,3H2,1-2H3.

What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile?

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile has a molecular weight of 2575.12 g/mol, XLogP of 28.49, 37 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile is sourced from PubChem (CID 158742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).