(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride

C15H25ClN2OS — CID 119269302

IUPAC(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)[C@@H](N)CCSC)cc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)14(16)9-10-19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H/t11?,14-;/m0./s1
InChIKeyFQHBRCCQTYJGAZ-WKRKBMNRSA-N
MW316.90 g/mol
LogP2.93
Rot. Bonds7

About (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119269302) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119269302
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)[C@@H](N)CCSC)cc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)14(16)9-10-19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H/t11?,14-;/m0./s1
InChIKeyFQHBRCCQTYJGAZ-WKRKBMNRSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119269340
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119288564
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119303255
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119269302) is (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride is CCc1ccc(C(C)NC(=O)[C@@H](N)CCSC)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is FQHBRCCQTYJGAZ-WKRKBMNRSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)14(16)9-10-19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H/t11?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119269302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).