2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide

C13H19FN2O3S — CID 61249769

IUPAC2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-20(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRDEVTVNELZHUMY-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.76
Rot. Bonds6

About 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide

2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide (PubChem CID 61249769) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
PubChem CID61249769
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
SMILESCC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-20(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyRDEVTVNELZHUMY-UHFFFAOYSA-N
XLogP0.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
2-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 119957538
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 103827821
6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
CID 65292258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide (CID 61249769) is 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide is CC(NC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide?
The InChIKey is RDEVTVNELZHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-20(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide?
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide has a molecular weight of 302.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 61249769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).