2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide

C12H17FN2OS — CID 76892783

IUPAC2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H17FN2OS/c1-8-3-4-9(13)7-11(8)15-12(16)10(14)5-6-17-2/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDONZYKMWNPRJFI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide

2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide (PubChem CID 76892783) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
PubChem CID76892783
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C12H17FN2OS/c1-8-3-4-9(13)7-11(8)15-12(16)10(14)5-6-17-2/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDONZYKMWNPRJFI-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61149301
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-fluorobenzoate
CID 104907468
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-4-methylsulfanylbutanamide
CID 62103015
(2S)-2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 54967553
(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 31759124
(2R)-2-amino-N-(2-cyano-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 104908920
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 61148606
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119290851
(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 63327708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide (CID 76892783) is 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide is CSCCC(N)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is DONZYKMWNPRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-8-3-4-9(13)7-11(8)15-12(16)10(14)5-6-17-2/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 76892783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).