(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid

C24H21N3O4S — CID 67526540

IUPAC(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)O
InChIInChI=1S/C24H21N3O4S/c1-15-21(16-8-4-2-5-9-16)24(15,23(28)29)27-32(30,31)18-12-13-19-20(14-18)26-22(25-19)17-10-6-3-7-11-17/h2-15,21,27H,1H3,(H,25,26)(H,28,29)/t15-,21-,24+/m1/s1
InChIKeyTWLWNXUTEVJDGA-FVFQAYNVSA-N
MW447.52 g/mol
LogP3.77
Rot. Bonds6

About (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid

(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 67526540) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID67526540
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)O
InChIInChI=1S/C24H21N3O4S/c1-15-21(16-8-4-2-5-9-16)24(15,23(28)29)27-32(30,31)18-12-13-19-20(14-18)26-22(25-19)17-10-6-3-7-11-17/h2-15,21,27H,1H3,(H,25,26)(H,28,29)/t15-,21-,24+/m1/s1
InChIKeyTWLWNXUTEVJDGA-FVFQAYNVSA-N
XLogP3.77
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
CID 46273821
N-[4-(isoindole-2-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 90096563
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040313
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
sulfino 2-phenyl-3H-benzimidazole-5-sulfonate
CID 137408588
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 67526540) is (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid is C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)O.
What is the InChIKey of (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is TWLWNXUTEVJDGA-FVFQAYNVSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-15-21(16-8-4-2-5-9-16)24(15,23(28)29)27-32(30,31)18-12-13-19-20(14-18)26-22(25-19)17-10-6-3-7-11-17/h2-15,21,27H,1H3,(H,25,26)(H,28,29)/t15-,21-,24+/m1/s1.
What are the key properties of (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 447.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67526540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).