4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide

C19H22N4O4S — CID 24683589

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H22N4O4S/c1-3-13(4-2)20-18(24)12-5-7-14(8-6-12)23-28(26,27)15-9-10-16-17(11-15)22-19(25)21-16/h5-11,13,23H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyWLEROVKSQYBPGI-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.58
Rot. Bonds7

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide (PubChem CID 24683589) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide
PubChem CID24683589
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H22N4O4S/c1-3-13(4-2)20-18(24)12-5-7-14(8-6-12)23-28(26,27)15-9-10-16-17(11-15)22-19(25)21-16/h5-11,13,23H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyWLEROVKSQYBPGI-UHFFFAOYSA-N
XLogP2.58
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24670610
DW-2282 free base
CID 9870546
DW-2143 free base
CID 9935663
4-phenyl-1-(N-benzoylindoline-5-sulfonyl)-4,5-dihydro-2-imidazolone
CID 21224938
4-[methyl(methylsulfonyl)amino]-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 1091455
1-(4-Acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
CID 2209389
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2511795
4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2957591
4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4266948
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6461555

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide (CID 24683589) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide?
The InChIKey is WLEROVKSQYBPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-3-13(4-2)20-18(24)12-5-7-14(8-6-12)23-28(26,27)15-9-10-16-17(11-15)22-19(25)21-16/h5-11,13,23H,3-4H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide has a molecular weight of 402.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 24683589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).