3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide

C17H17F3N2O3S — CID 113146355

IUPAC3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-7-6-14(19)10-15(16)20)9-8-17(23)21-11-12-2-4-13(18)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyGTPCVCHJSVAGAO-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.58
Rot. Bonds7

About 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide

3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 113146355) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID113146355
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-7-6-14(19)10-15(16)20)9-8-17(23)21-11-12-2-4-13(18)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyGTPCVCHJSVAGAO-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113146396
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
N-[(4-chlorophenyl)methyl]-3-(2-cyano-N-methylsulfonylanilino)propanamide
CID 113146730
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide (CID 113146355) is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is GTPCVCHJSVAGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-7-6-14(19)10-15(16)20)9-8-17(23)21-11-12-2-4-13(18)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 386.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113146355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).