(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

C13H19FN2O3S — CID 27539669

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-9(2)8-15-13(17)10(3)16-20(18,19)12-6-4-11(14)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyRSZOLPFSICJWSR-JTQLQIEISA-N
MW302.37 g/mol
LogP1.26
Rot. Bonds6

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (PubChem CID 27539669) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
PubChem CID27539669
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-9(2)8-15-13(17)10(3)16-20(18,19)12-6-4-11(14)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyRSZOLPFSICJWSR-JTQLQIEISA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 107650371
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388558
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide (CID 27539669) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is RSZOLPFSICJWSR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9(2)8-15-13(17)10(3)16-20(18,19)12-6-4-11(14)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 27539669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).