(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide

C15H24N2OS — CID 110482514

IUPAC(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
SMILESCSc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-11(2)10-14(16)15(18)17-9-8-12-4-6-13(19-3)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyKJMXVJPLSSZVRR-AWEZNQCLSA-N
MW280.44 g/mol
LogP2.44
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide (PubChem CID 110482514) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
PubChem CID110482514
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
SMILESCSc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-11(2)10-14(16)15(18)17-9-8-12-4-6-13(19-3)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyKJMXVJPLSSZVRR-AWEZNQCLSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide (CID 110482514) is (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide is CSc1ccc(CCNC(=O)[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide?
The InChIKey is KJMXVJPLSSZVRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)10-14(16)15(18)17-9-8-12-4-6-13(19-3)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide is sourced from PubChem (CID 110482514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).