(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide

C11H14FNO3S — CID 51946192

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)NCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14FNO3S/c1-8(17(2,15)16)11(14)13-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyMSXDVKBVONNNQH-QMMMGPOBSA-N
MW259.30 g/mol
LogP0.88
Rot. Bonds4

About (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide (PubChem CID 51946192) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
PubChem CID51946192
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)NCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14FNO3S/c1-8(17(2,15)16)11(14)13-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyMSXDVKBVONNNQH-QMMMGPOBSA-N
XLogP0.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 94029530
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 28636247
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide (CID 51946192) is (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide is C[C@@H](C(=O)NCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is MSXDVKBVONNNQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8(17(2,15)16)11(14)13-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 259.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 51946192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).