3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

C13H18N2O5S — CID 71683958

IUPAC3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCCCOC)ccc21
InChIInChI=1S/C13H18N2O5S/c1-3-15-11-6-5-10(9-12(11)20-13(15)16)21(17,18)14-7-4-8-19-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyNNOIORGYQQQRNC-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.93
Rot. Bonds7

About 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide

3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 71683958) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID71683958
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCCCOC)ccc21
InChIInChI=1S/C13H18N2O5S/c1-3-15-11-6-5-10(9-12(11)20-13(15)16)21(17,18)14-7-4-8-19-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyNNOIORGYQQQRNC-UHFFFAOYSA-N
XLogP0.93
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120717520
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
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677089
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 71683958) is 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NCCCOC)ccc21.
What is the InChIKey of 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is NNOIORGYQQQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-3-15-11-6-5-10(9-12(11)20-13(15)16)21(17,18)14-7-4-8-19-2/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 71683958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).