(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

C16H16F2N2O3S — CID 8991418

IUPAC(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-12(17)4-8-14)20(24(2,22)23)15-9-5-13(18)6-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyVBXKMYMWABTXBK-NSHDSACASA-N
MW354.38 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 8991418) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID8991418
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-12(17)4-8-14)20(24(2,22)23)15-9-5-13(18)6-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyVBXKMYMWABTXBK-NSHDSACASA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991430
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99130813
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470
(2R)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 27059928
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 43876440
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (CID 8991418) is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is VBXKMYMWABTXBK-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-11(16(21)19-14-7-3-12(17)4-8-14)20(24(2,22)23)15-9-5-13(18)6-10-15/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 354.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 8991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).