N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C22H20N2O4S — CID 92648304

IUPACN-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C22H20N2O4S/c1-2-24-19-14-13-18(15-20(19)28-22(24)25)29(26,27)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3
InChIKeyCXDLWAIYMVIZSL-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.68
Rot. Bonds6

About N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648304) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID92648304
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C22H20N2O4S/c1-2-24-19-14-13-18(15-20(19)28-22(24)25)29(26,27)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3
InChIKeyCXDLWAIYMVIZSL-UHFFFAOYSA-N
XLogP3.68
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648312
3-ethyl-N-[(4-methylphenyl)-phenylmethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133230806
3-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534526
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 92648304) is N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is CXDLWAIYMVIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-2-24-19-14-13-18(15-20(19)28-22(24)25)29(26,27)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,2H2,1H3.
What are the key properties of N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).