N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide

C18H18F2N2O4S — CID 113147280

IUPACN-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H18F2N2O4S/c1-12(23)13-4-3-5-14(10-13)21-18(24)8-9-22(27(2,25)26)15-6-7-16(19)17(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyFPVUDSDCXAHMIF-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.96
Rot. Bonds7

About N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide

N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113147280) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
PubChem CID113147280
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC NameN-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H18F2N2O4S/c1-12(23)13-4-3-5-14(10-13)21-18(24)8-9-22(27(2,25)26)15-6-7-16(19)17(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyFPVUDSDCXAHMIF-UHFFFAOYSA-N
XLogP2.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147284
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144923
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide (CID 113147280) is N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide is CC(=O)c1cccc(NC(=O)CCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is FPVUDSDCXAHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-12(23)13-4-3-5-14(10-13)21-18(24)8-9-22(27(2,25)26)15-6-7-16(19)17(20)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 396.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113147280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).