2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C16H15N3O2S — CID 24624741

IUPAC2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15N3O2S/c1-2-22-14-6-4-3-5-11(14)15(20)17-10-7-8-12-13(9-10)19-16(21)18-12/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyLLEIBEHSUURTFS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.22
Rot. Bonds4

About 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 24624741) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID24624741
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15N3O2S/c1-2-22-14-6-4-3-5-11(14)15(20)17-10-7-8-12-13(9-10)19-16(21)18-12/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyLLEIBEHSUURTFS-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624739
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791205
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100533533
2-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 24624741) is 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is CCSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is LLEIBEHSUURTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-22-14-6-4-3-5-11(14)15(20)17-10-7-8-12-13(9-10)19-16(21)18-12/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 24624741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).