3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide

C14H20N2O4S — CID 92648280

IUPAC3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C14H20N2O4S/c1-4-6-10(3)15-21(18,19)11-7-8-12-13(9-11)20-14(17)16(12)5-2/h7-10,15H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyFVYKVYFUAWNGRN-SNVBAGLBSA-N
MW312.39 g/mol
LogP2.08
Rot. Bonds6

About 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide

3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648280) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
PubChem CID92648280
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C14H20N2O4S/c1-4-6-10(3)15-21(18,19)11-7-8-12-13(9-11)20-14(17)16(12)5-2/h7-10,15H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyFVYKVYFUAWNGRN-SNVBAGLBSA-N
XLogP2.08
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.08
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-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648312
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzothiazole-6-sulfonamide
CID 100718837
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71691359

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide (CID 92648280) is 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide is CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC.
What is the InChIKey of 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FVYKVYFUAWNGRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-6-10(3)15-21(18,19)11-7-8-12-13(9-11)20-14(17)16(12)5-2/h7-10,15H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide?
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).