2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C13H15FN4O4S — CID 50979612

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)o1
InChIInChI=1S/C13H15FN4O4S/c1-9-16-17-13(22-9)7-15-12(19)8-18(23(2,20)21)11-5-3-4-10(14)6-11/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyXEOLHKYICBUGQE-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.60
Rot. Bonds6

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 50979612) has the molecular formula C13H15FN4O4S and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID50979612
Molecular FormulaC13H15FN4O4S
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)o1
InChIInChI=1S/C13H15FN4O4S/c1-9-16-17-13(22-9)7-15-12(19)8-18(23(2,20)21)11-5-3-4-10(14)6-11/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyXEOLHKYICBUGQE-UHFFFAOYSA-N
XLogP0.60
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]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

N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 91781533
2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 131905962
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1305982
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
2-(3-bromo-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2279634
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30244091

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 50979612) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1nnc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)o1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is XEOLHKYICBUGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O4S/c1-9-16-17-13(22-9)7-15-12(19)8-18(23(2,20)21)11-5-3-4-10(14)6-11/h3-6H,7-8H2,1-2H3,(H,15,19).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 342.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 50979612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).