2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide

C15H23FN2O3S — CID 119801243

IUPAC2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H23FN2O3S/c1-5-9(2)14(17)15(19)18-10(3)11-6-7-13(12(16)8-11)22(4,20)21/h6-10,14H,5,17H2,1-4H3,(H,18,19)
InChIKeyZMPQQVQPSWWLCI-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide

2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide (PubChem CID 119801243) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
PubChem CID119801243
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H23FN2O3S/c1-5-9(2)14(17)15(19)18-10(3)11-6-7-13(12(16)8-11)22(4,20)21/h6-10,14H,5,17H2,1-4H3,(H,18,19)
InChIKeyZMPQQVQPSWWLCI-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119801231
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide (CID 119801243) is 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide?
The InChIKey is ZMPQQVQPSWWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-5-9(2)14(17)15(19)18-10(3)11-6-7-13(12(16)8-11)22(4,20)21/h6-10,14H,5,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide?
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide has a molecular weight of 330.43 g/mol, XLogP of 1.78, 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-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 119801243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).