2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide

C13H19FN2O3S — CID 43708238

IUPAC2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-4-8(2)12(15)13(17)16-11-7-9(20(3,18)19)5-6-10(11)14/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyBFEDDPMPSFMLMT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide

2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide (PubChem CID 43708238) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
PubChem CID43708238
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-4-8(2)12(15)13(17)16-11-7-9(20(3,18)19)5-6-10(11)14/h5-8,12H,4,15H2,1-3H3,(H,16,17)
InChIKeyBFEDDPMPSFMLMT-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
CID 119812881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide (CID 43708238) is 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide?
The InChIKey is BFEDDPMPSFMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-4-8(2)12(15)13(17)16-11-7-9(20(3,18)19)5-6-10(11)14/h5-8,12H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide?
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide has a molecular weight of 302.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide is sourced from PubChem (CID 43708238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).