N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C20H18N4O4S2 — CID 31887518

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H18N4O4S2/c25-19(22-14-5-8-17-18(12-14)24-20(26)23-17)13-3-6-16(7-4-13)30(27,28)21-10-9-15-2-1-11-29-15/h1-8,11-12,21H,9-10H2,(H,22,25)(H2,23,24,26)
InChIKeyWEUOIPXWKMZLPT-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.69
Rot. Bonds7

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 31887518) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID31887518
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H18N4O4S2/c25-19(22-14-5-8-17-18(12-14)24-20(26)23-17)13-3-6-16(7-4-13)30(27,28)21-10-9-15-2-1-11-29-15/h1-8,11-12,21H,9-10H2,(H,22,25)(H2,23,24,26)
InChIKeyWEUOIPXWKMZLPT-UHFFFAOYSA-N
XLogP2.69
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26664033
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 31887518) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is WEUOIPXWKMZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c25-19(22-14-5-8-17-18(12-14)24-20(26)23-17)13-3-6-16(7-4-13)30(27,28)21-10-9-15-2-1-11-29-15/h1-8,11-12,21H,9-10H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 31887518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).