2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide

C26H20ClN3O3S2 — CID 10346646

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C26H20ClN3O3S2/c1-35(32,33)23-5-3-2-4-19(23)17-7-9-18(10-8-17)28-25(31)15-16-6-11-20-21(14-16)30-26(29-20)22-12-13-24(27)34-22/h2-14H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyCGOMOGYAVNRLKF-UHFFFAOYSA-N
MW522.05 g/mol
LogP6.20
Rot. Bonds6

About 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide (PubChem CID 10346646) has the molecular formula C26H20ClN3O3S2 and a molecular weight of 522.05 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide
PubChem CID10346646
Molecular FormulaC26H20ClN3O3S2
Molecular Weight522.05 g/mol
Exact Mass521.06
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C26H20ClN3O3S2/c1-35(32,33)23-5-3-2-4-19(23)17-7-9-18(10-8-17)28-25(31)15-16-6-11-20-21(14-16)30-26(29-20)22-12-13-24(27)34-22/h2-14H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyCGOMOGYAVNRLKF-UHFFFAOYSA-N
XLogP6.20
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.05
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide (CID 10346646) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide is CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide?
The InChIKey is CGOMOGYAVNRLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O3S2/c1-35(32,33)23-5-3-2-4-19(23)17-7-9-18(10-8-17)28-25(31)15-16-6-11-20-21(14-16)30-26(29-20)22-12-13-24(27)34-22/h2-14H,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide has a molecular weight of 522.05 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide is sourced from PubChem (CID 10346646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).