N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

C13H13N3O3S2 — CID 110733669

IUPACN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O3S2/c1-16(8-9-3-2-6-20-9)21(18,19)10-4-5-11-12(7-10)15-13(17)14-11/h2-7H,8H2,1H3,(H2,14,15,17)
InChIKeyXTMUMCKPAOZQJL-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110733669) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110733669
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC NameN-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O3S2/c1-16(8-9-3-2-6-20-9)21(18,19)10-4-5-11-12(7-10)15-13(17)14-11/h2-7H,8H2,1H3,(H2,14,15,17)
InChIKeyXTMUMCKPAOZQJL-UHFFFAOYSA-N
XLogP1.74
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8799711
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110868966
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 124852411
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 171134147
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110733669) is N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is CN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is XTMUMCKPAOZQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c1-16(8-9-3-2-6-20-9)21(18,19)10-4-5-11-12(7-10)15-13(17)14-11/h2-7H,8H2,1H3,(H2,14,15,17).
What are the key properties of N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110733669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).