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

C13H18N2O4S — CID 92648198

IUPACN-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C13H18N2O4S/c1-4-9(3)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)5-2/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyXYOJLPNXUFGNPR-VIFPVBQESA-N
MW298.36 g/mol
LogP1.69
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 92648198) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID92648198
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C13H18N2O4S/c1-4-9(3)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)5-2/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyXYOJLPNXUFGNPR-VIFPVBQESA-N
XLogP1.69
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
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
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 92648198) is N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XYOJLPNXUFGNPR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-9(3)14-20(17,18)10-6-7-11-12(8-10)19-13(16)15(11)5-2/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92648198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).