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

C15H19FN4O4S — CID 131905962

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)no1
InChIInChI=1S/C15H19FN4O4S/c1-10(2)15-18-13(19-24-15)8-17-14(21)9-20(25(3,22)23)12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyLOFXUKRBQVXDAI-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.41
Rot. Bonds7

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

2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 131905962) has the molecular formula C15H19FN4O4S and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID131905962
Molecular FormulaC15H19FN4O4S
Molecular Weight370.41 g/mol
Exact Mass370.11
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)no1
InChIInChI=1S/C15H19FN4O4S/c1-10(2)15-18-13(19-24-15)8-17-14(21)9-20(25(3,22)23)12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyLOFXUKRBQVXDAI-UHFFFAOYSA-N
XLogP1.41
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 50979612
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 91781533
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92677359
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
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-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 94019110
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38014764

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 131905962) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(C)c1nc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)no1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is LOFXUKRBQVXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O4S/c1-10(2)15-18-13(19-24-15)8-17-14(21)9-20(25(3,22)23)12-6-4-5-11(16)7-12/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.41, 7 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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 131905962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).