(1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide

C31H33N3O4S3 — CID 142837204

About (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide

(1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142837204) has the molecular formula C31H33N3O4S3 and a molecular weight of 607.82 g/mol. Its IUPAC name is (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
• PubChem CID: 142837204
• Molecular Formula: C31H33N3O4S3
• Molecular Weight: 607.82 g/mol
• Exact Mass: 607.16
• IUPAC Name: (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
• SMILES: CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)C1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2cccs2)s1
• InChI: InChI=1S/C31H33N3O4S3/c1-33(19-21-12-14-22(15-13-21)24-7-3-4-11-29(24)41(32,37)38)30(35)25-8-5-9-26(25)31(36)34(2)20-23-16-17-28(40-23)27-10-6-18-39-27/h3-4,6-7,10-18,25-26H,5,8-9,19-20H2,1-2H3,(H2,32,37,38)/t25?,26-/m1/s1
• InChIKey: OIZIQJRMLLPDCV-FXDYGKIASA-N
• XLogP: 5.82
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.82
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide?

The IUPAC name of (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide (CID 142837204) is (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide.

What is the SMILES notation for (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide?

The canonical SMILES for (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide is CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)C1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2cccs2)s1.

What is the InChIKey of (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide?

The InChIKey is OIZIQJRMLLPDCV-FXDYGKIASA-N. The full InChI is InChI=1S/C31H33N3O4S3/c1-33(19-21-12-14-22(15-13-21)24-7-3-4-11-29(24)41(32,37)38)30(35)25-8-5-9-26(25)31(36)34(2)20-23-16-17-28(40-23)27-10-6-18-39-27/h3-4,6-7,10-18,25-26H,5,8-9,19-20H2,1-2H3,(H2,32,37,38)/t25?,26-/m1/s1.

What are the key properties of (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide?

(1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 607.82 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-N,2-N-dimethyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142837204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).