(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide

C16H16F2N2O3S — CID 99131874

IUPAC(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-12-6-4-3-5-7-12)20(24(2,22)23)13-8-9-14(17)15(18)10-13/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyXCFMWHMYENTREQ-LLVKDONJSA-N
MW354.38 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide (PubChem CID 99131874) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
PubChem CID99131874
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H16F2N2O3S/c1-11(16(21)19-12-6-4-3-5-7-12)20(24(2,22)23)13-8-9-14(17)15(18)10-13/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyXCFMWHMYENTREQ-LLVKDONJSA-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

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
3-[2-(3,4-difluoro-N-methylsulfonylanilino)propanoylamino]benzamide
CID 53288438
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132663587
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 53285804
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 99132009
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)propanamide
CID 132663564
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide?
The IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide (CID 99131874) is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide is C[C@H](C(=O)Nc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide?
The InChIKey is XCFMWHMYENTREQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-11(16(21)19-12-6-4-3-5-7-12)20(24(2,22)23)13-8-9-14(17)15(18)10-13/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide?
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide 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 (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide is sourced from PubChem (CID 99131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).