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

C17H18N2O6S — CID 110311284

IUPAC3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NOCCOc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O6S/c1-2-19-15-9-8-14(12-16(15)25-17(19)20)26(21,22)18-24-11-10-23-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyPJFNSGNJIFLWOV-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.90
Rot. Bonds8

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

3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110311284) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
PubChem CID110311284
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NOCCOc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O6S/c1-2-19-15-9-8-14(12-16(15)25-17(19)20)26(21,22)18-24-11-10-23-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyPJFNSGNJIFLWOV-UHFFFAOYSA-N
XLogP1.90
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294740
4-fluoro-3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294725
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
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-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide (CID 110311284) is 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NOCCOc3ccccc3)ccc21.
What is the InChIKey of 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is PJFNSGNJIFLWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-2-19-15-9-8-14(12-16(15)25-17(19)20)26(21,22)18-24-11-10-23-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide?
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 378.41 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110311284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).