N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide

C18H19FN2O4S — CID 113143498

IUPACN-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-13(22)14-6-5-7-15(12-14)20-18(23)10-11-21(26(2,24)25)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySBPXXALTUIVCRB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.82
Rot. Bonds7

About N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide

N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113143498) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID113143498
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-13(22)14-6-5-7-15(12-14)20-18(23)10-11-21(26(2,24)25)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySBPXXALTUIVCRB-UHFFFAOYSA-N
XLogP2.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide (CID 113143498) is N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide is CC(=O)c1cccc(NC(=O)CCN(c2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is SBPXXALTUIVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13(22)14-6-5-7-15(12-14)20-18(23)10-11-21(26(2,24)25)17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide?
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.82, 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-(2-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).