(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide

C16H26N2O2S — CID 119334134

IUPAC(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C16H26N2O2S/c1-4-18(16(20)14(17)9-10-21-3)11-15(19)13-7-5-12(2)6-8-13/h5-8,14-15,19H,4,9-11,17H2,1-3H3/t14-,15?/m0/s1
InChIKeyJVNGFYAIQUWPMM-MLCCFXAWSA-N
MW310.46 g/mol
LogP1.96
Rot. Bonds8

About (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 119334134) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID119334134
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C16H26N2O2S/c1-4-18(16(20)14(17)9-10-21-3)11-15(19)13-7-5-12(2)6-8-13/h5-8,14-15,19H,4,9-11,17H2,1-3H3/t14-,15?/m0/s1
InChIKeyJVNGFYAIQUWPMM-MLCCFXAWSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
1-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334139
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 111758358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide (CID 119334134) is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide is CCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is JVNGFYAIQUWPMM-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(16(20)14(17)9-10-21-3)11-15(19)13-7-5-12(2)6-8-13/h5-8,14-15,19H,4,9-11,17H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 310.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119334134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).