(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

C18H19FN2O4S — CID 8991470

IUPAC(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-12(18(23)20-16-6-4-5-14(11-16)13(2)22)21(26(3,24)25)17-9-7-15(19)8-10-17/h4-12H,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyXRKKFMRSZBSDQT-GFCCVEGCSA-N
MW378.43 g/mol
LogP2.82
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 8991470) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID8991470
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-12(18(23)20-16-6-4-5-14(11-16)13(2)22)21(26(3,24)25)17-9-7-15(19)8-10-17/h4-12H,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyXRKKFMRSZBSDQT-GFCCVEGCSA-N
XLogP2.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 92683156
N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2930226
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
3-[2-(3,4-difluoro-N-methylsulfonylanilino)propanoylamino]benzamide
CID 53288438
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 1265285
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 8991470) is (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is XRKKFMRSZBSDQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-12(18(23)20-16-6-4-5-14(11-16)13(2)22)21(26(3,24)25)17-9-7-15(19)8-10-17/h4-12H,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 8991470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).