(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide

C27H28BrN3O4S — CID 142837017

IUPAC(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCC[C@H]2C(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C27H28BrN3O4S/c28-21-14-10-19(11-15-21)17-31-27(33)24-6-3-5-23(24)26(32)30-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)36(29,34)35/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t23?,24-/m1/s1
InChIKeyIMNLKKXPAZFVPG-XMMISQBUSA-N
MW570.51 g/mol
LogP4.11
Rot. Bonds8

About (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide

(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142837017) has the molecular formula C27H28BrN3O4S and a molecular weight of 570.51 g/mol. Its IUPAC name is (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
PubChem CID142837017
Molecular FormulaC27H28BrN3O4S
Molecular Weight570.51 g/mol
Exact Mass569.10
IUPAC Name(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCC[C@H]2C(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C27H28BrN3O4S/c28-21-14-10-19(11-15-21)17-31-27(33)24-6-3-5-23(24)26(32)30-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)36(29,34)35/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t23?,24-/m1/s1
InChIKeyIMNLKKXPAZFVPG-XMMISQBUSA-N
XLogP4.11
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The IUPAC name of (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide (CID 142837017) is (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The canonical SMILES for (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCC[C@H]2C(=O)NCc2ccc(Br)cc2)cc1.
What is the InChIKey of (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The InChIKey is IMNLKKXPAZFVPG-XMMISQBUSA-N. The full InChI is InChI=1S/C27H28BrN3O4S/c28-21-14-10-19(11-15-21)17-31-27(33)24-6-3-5-23(24)26(32)30-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)36(29,34)35/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t23?,24-/m1/s1.
What are the key properties of (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 570.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142837017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).