2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C16H15N3O2S — CID 2992824

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-2-5-12(6-3-10)22-9-15(20)17-11-4-7-13-14(8-11)19-16(21)18-13/h2-8H,9H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyOYZIJPDFASHTTM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2992824) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2992824
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-2-5-12(6-3-10)22-9-15(20)17-11-4-7-13-14(8-11)19-16(21)18-13/h2-8H,9H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyOYZIJPDFASHTTM-UHFFFAOYSA-N
XLogP2.90
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2992824) is 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is Cc1ccc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is OYZIJPDFASHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-2-5-12(6-3-10)22-9-15(20)17-11-4-7-13-14(8-11)19-16(21)18-13/h2-8H,9H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2992824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).