(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide

C15H24N2OS — CID 104984814

IUPAC(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
SMILESCSCCC(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(10-11-19-2)17-15(18)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyIQTYUDRTHHGEJC-PYMCNQPYSA-N
MW280.44 g/mol
LogP2.20
Rot. Bonds8

About (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide

(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide (PubChem CID 104984814) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
PubChem CID104984814
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
SMILESCSCCC(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-12(10-11-19-2)17-15(18)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyIQTYUDRTHHGEJC-PYMCNQPYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2-amino-N-(4-methylsulfinylbutan-2-yl)-4-phenylbutanamide
CID 104984835
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
(2S)-2-amino-4-methylsulfanyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 173062166
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
methyl 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate
CID 61259254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide (CID 104984814) is (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide is CSCCC(C)NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide?
The InChIKey is IQTYUDRTHHGEJC-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(10-11-19-2)17-15(18)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide has a molecular weight of 280.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).