4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C19H20N4O5S — CID 25350812

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O5S/c24-18(20-11-14-2-1-9-28-14)12-3-5-13(6-4-12)23-29(26,27)15-7-8-16-17(10-15)22-19(25)21-16/h3-8,10,14,23H,1-2,9,11H2,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyGINAIULGJDLHFQ-AWEZNQCLSA-N
MW416.46 g/mol
LogP1.57
Rot. Bonds6

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 25350812) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID25350812
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H20N4O5S/c24-18(20-11-14-2-1-9-28-14)12-3-5-13(6-4-12)23-29(26,27)15-7-8-16-17(10-15)22-19(25)21-16/h3-8,10,14,23H,1-2,9,11H2,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyGINAIULGJDLHFQ-AWEZNQCLSA-N
XLogP1.57
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 24983098
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 154835051

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 25350812) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)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-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is GINAIULGJDLHFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-18(20-11-14-2-1-9-28-14)12-3-5-13(6-4-12)23-29(26,27)15-7-8-16-17(10-15)22-19(25)21-16/h3-8,10,14,23H,1-2,9,11H2,(H,20,24)(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25350812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).