2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide

C16H15N3O3S2 — CID 39758056

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-11-6-8-12(9-7-11)24(21,22)19-15(20)10-23-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLEMRWHCVELTKOA-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.47
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 39758056) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID39758056
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-11-6-8-12(9-7-11)24(21,22)19-15(20)10-23-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLEMRWHCVELTKOA-UHFFFAOYSA-N
XLogP2.47
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide
CID 135964006
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(4-tert-butylphenyl)sulfonylacetohydrazide
CID 8505426
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1299526
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46203768
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505393
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 18201005
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 17138634

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide (CID 39758056) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is LEMRWHCVELTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-11-6-8-12(9-7-11)24(21,22)19-15(20)10-23-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 361.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 39758056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).