3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide

C17H19FN2O3S — CID 8893350

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(11-12)24(22,23)19-10-9-17(21)20-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyWPURPJGTHBBTNI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.75
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide (PubChem CID 8893350) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
PubChem CID8893350
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(11-12)24(22,23)19-10-9-17(21)20-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyWPURPJGTHBBTNI-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981523
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 24636271
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide (CID 8893350) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The InChIKey is WPURPJGTHBBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-3-4-13(2)16(11-12)24(22,23)19-10-9-17(21)20-15-7-5-14(18)6-8-15/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 8893350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).