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

C15H20N2O6S — CID 110357042

IUPAC3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCCC3(C)OCCO3)ccc21
InChIInChI=1S/C15H20N2O6S/c1-3-17-12-5-4-11(10-13(12)23-14(17)18)24(19,20)16-7-6-15(2)21-8-9-22-15/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyACBMASUWONVOOY-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.05
Rot. Bonds6

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

3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110357042) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110357042
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCCC3(C)OCCO3)ccc21
InChIInChI=1S/C15H20N2O6S/c1-3-17-12-5-4-11(10-13(12)23-14(17)18)24(19,20)16-7-6-15(2)21-8-9-22-15/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyACBMASUWONVOOY-UHFFFAOYSA-N
XLogP1.05
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 16673809
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110616156
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110357042) is 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NCCC3(C)OCCO3)ccc21.
What is the InChIKey of 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ACBMASUWONVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-3-17-12-5-4-11(10-13(12)23-14(17)18)24(19,20)16-7-6-15(2)21-8-9-22-15/h4-5,10,16H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110357042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).