2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

C17H19FN2O3S — CID 112992587

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(9-12)24(22,23)20-11-17(21)19-10-14-5-7-15(18)8-6-14/h3-9,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyFPOAOGMAQXKPNB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.04
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 112992587) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID112992587
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(9-12)24(22,23)20-11-17(21)19-10-14-5-7-15(18)8-6-14/h3-9,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyFPOAOGMAQXKPNB-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8890164
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 112992587) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FPOAOGMAQXKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(9-12)24(22,23)20-11-17(21)19-10-14-5-7-15(18)8-6-14/h3-9,20H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 112992587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).