N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide

C15H12N2O4S — CID 25122234

IUPACN-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4S/c18-15(17-22(19,20)11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21-16-13/h1-9H,10H2,(H,17,18)
InChIKeyABMBECGPVCLNNA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.88
Rot. Bonds4

About N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide

N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide (PubChem CID 25122234) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
PubChem CID25122234
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4S/c18-15(17-22(19,20)11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21-16-13/h1-9H,10H2,(H,17,18)
InChIKeyABMBECGPVCLNNA-UHFFFAOYSA-N
XLogP1.88
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
N-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenyl]sulfonylacetamide
CID 90624464
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
1-[4-(benzenesulfonyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 71808758

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide (CID 25122234) is N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide is O=C(Cc1noc2ccccc12)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The InChIKey is ABMBECGPVCLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-15(17-22(19,20)11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21-16-13/h1-9H,10H2,(H,17,18).
What are the key properties of N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide?
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 25122234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).