3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide

C19H15N3O3S2 — CID 60587312

IUPAC3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)c1
InChIInChI=1S/C19H15N3O3S2/c1-27(24,25)14-5-2-4-12(10-14)19(23)20-13-7-8-15-16(11-13)22-18(21-15)17-6-3-9-26-17/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyDWEVIKFCPWEEJK-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.95
Rot. Bonds4

About 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide

3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide (PubChem CID 60587312) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
PubChem CID60587312
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)c1
InChIInChI=1S/C19H15N3O3S2/c1-27(24,25)14-5-2-4-12(10-14)19(23)20-13-7-8-15-16(11-13)22-18(21-15)17-6-3-9-26-17/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyDWEVIKFCPWEEJK-UHFFFAOYSA-N
XLogP3.95
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
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1-methyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)pyrrole-2-carboxamide
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3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
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ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
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(2Z)-3-chloro-5-methyl-2-prop-1-en-2-yl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)hexa-2,4-dienamide
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N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide (CID 60587312) is 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is DWEVIKFCPWEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-27(24,25)14-5-2-4-12(10-14)19(23)20-13-7-8-15-16(11-13)22-18(21-15)17-6-3-9-26-17/h2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide?
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 60587312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).