2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H17N3O5S — CID 4839889

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)oc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-11(12-6-8-13(9-7-12)26(18,23)24)19-16(21)10-20-14-4-2-3-5-15(14)25-17(20)22/h2-9,11H,10H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyXQPAFFHQVHHEJB-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.12
Rot. Bonds5

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 4839889) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID4839889
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)oc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-11(12-6-8-13(9-7-12)26(18,23)24)19-16(21)10-20-14-4-2-3-5-15(14)25-17(20)22/h2-9,11H,10H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyXQPAFFHQVHHEJB-UHFFFAOYSA-N
XLogP1.12
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30872826
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401502
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 4839889) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)Cn1c(=O)oc2ccccc21)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is XQPAFFHQVHHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-11(12-6-8-13(9-7-12)26(18,23)24)19-16(21)10-20-14-4-2-3-5-15(14)25-17(20)22/h2-9,11H,10H2,1H3,(H,19,21)(H2,18,23,24).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 4839889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).