4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide

C17H18F2N2O3S — CID 53287713

IUPAC4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(14-9-10-15(18)16(19)12-14)11-5-8-17(22)20-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22)
InChIKeyZTCPNCGLSOVEFO-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.15
Rot. Bonds7

About 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide

4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide (PubChem CID 53287713) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
PubChem CID53287713
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(14-9-10-15(18)16(19)12-14)11-5-8-17(22)20-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22)
InChIKeyZTCPNCGLSOVEFO-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
CID 100582106
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100544170
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53287618
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide?
The IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide (CID 53287713) is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide.
What is the SMILES notation for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide?
The canonical SMILES for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide?
The InChIKey is ZTCPNCGLSOVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(23,24)21(14-9-10-15(18)16(19)12-14)11-5-8-17(22)20-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22).
What are the key properties of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide?
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide has a molecular weight of 368.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide is sourced from PubChem (CID 53287713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).