(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

C14H21FN2O3S — CID 124561221

IUPAC(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-10(2)9-16-14(18)11(3)17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyJZYXQYZBJZBWJE-LLVKDONJSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds6

About (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 124561221) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
PubChem CID124561221
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-10(2)9-16-14(18)11(3)17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyJZYXQYZBJZBWJE-LLVKDONJSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (CID 124561221) is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is JZYXQYZBJZBWJE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10(2)9-16-14(18)11(3)17(21(4,19)20)13-7-5-12(15)6-8-13/h5-8,10-11H,9H2,1-4H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 124561221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).