2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

C139H145ClN22O18S4 — CID 157057791

About 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 157057791) has the molecular formula C139H145ClN22O18S4 and a molecular weight of 2575.55 g/mol. Its IUPAC name is 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 157057791
• Molecular Formula: C139H145ClN22O18S4
• Molecular Weight: 2575.55 g/mol
• Exact Mass: 2572.97
• IUPAC Name: 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.CCn1c(-c2ccc(N3CCN(C)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCNS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1
• InChI: InChI=1S/C27H26N4O3S.C26H29N3O3.C25H27N3O3.C21H22N4O3S.C20H21ClN4O3S.C20H20N4O3S/c1-3-30-26-17-23(34-2)13-14-24(26)25(18-28)27(30)21-9-11-22(12-10-21)31-16-15-29(35(31,32)33)19-20-7-5-4-6-8-20;1-3-4-14-32-26(30)28-19-9-7-8-18(15-19)25-23(17-27)22-13-12-21(31-2)16-24(22)29(25)20-10-5-6-11-20;1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-4-24-20-13-17(28-3)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)25-12-11-23(2)29(25,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;1-3-23-19-12-16(27-2)8-9-17(19)18(13-21)20(23)14-4-6-15(7-5-14)24-11-10-22-28(24,25)26/h4-14,17H,3,15-16,19H2,1-2H3;7-9,12-13,15-16,20H,3-6,10-11,14H2,1-2H3,(H,28,30);6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);5-10,13H,4,11-12H2,1-3H3;4-9,12,23-24H,3,10-11H2,1-2H3;4-9,12,22H,3,10-11H2,1-2H3
• InChIKey: AAYSNSPIFIXGHA-UHFFFAOYSA-N
• XLogP: 27.45
• TPSA: 493.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.55
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 157057791) is 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.CCn1c(-c2ccc(N3CCN(C)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCNS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.

What is the InChIKey of 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is AAYSNSPIFIXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.C26H29N3O3.C25H27N3O3.C21H22N4O3S.C20H21ClN4O3S.C20H20N4O3S/c1-3-30-26-17-23(34-2)13-14-24(26)25(18-28)27(30)21-9-11-22(12-10-21)31-16-15-29(35(31,32)33)19-20-7-5-4-6-8-20;1-3-4-14-32-26(30)28-19-9-7-8-18(15-19)25-23(17-27)22-13-12-21(31-2)16-24(22)29(25)20-10-5-6-11-20;1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-4-24-20-13-17(28-3)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)25-12-11-23(2)29(25,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;1-3-23-19-12-16(27-2)8-9-17(19)18(13-21)20(23)14-4-6-15(7-5-14)24-11-10-22-28(24,25)26/h4-14,17H,3,15-16,19H2,1-2H3;7-9,12-13,15-16,20H,3-6,10-11,14H2,1-2H3,(H,28,30);6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);5-10,13H,4,11-12H2,1-3H3;4-9,12,23-24H,3,10-11H2,1-2H3;4-9,12,22H,3,10-11H2,1-2H3.

What are the key properties of 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2575.55 g/mol, XLogP of 27.45, 34 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157057791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).