2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H12N2O4S — CID 974462

IUPAC2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C12H12N2O4S/c1-9-7-11(14-18-9)13-12(15)8-19(16,17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyDPPIIVHKZXJQMV-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.40
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 974462) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID974462
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C12H12N2O4S/c1-9-7-11(14-18-9)13-12(15)8-19(16,17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyDPPIIVHKZXJQMV-UHFFFAOYSA-N
XLogP1.40
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 974462) is 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CS(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DPPIIVHKZXJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-9-7-11(14-18-9)13-12(15)8-19(16,17)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 974462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).