(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide

C14H22N2OS — CID 114127295

IUPAC(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
SMILESCSCCCCCNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-18-11-7-3-6-10-16-14(17)13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyDFYJKCDBSOFPHD-CYBMUJFWSA-N
MW266.41 g/mol
LogP2.34
Rot. Bonds8

About (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide

(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide (PubChem CID 114127295) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
PubChem CID114127295
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
SMILESCSCCCCCNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-18-11-7-3-6-10-16-14(17)13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyDFYJKCDBSOFPHD-CYBMUJFWSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide (CID 114127295) is (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide is CSCCCCCNC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide?
The InChIKey is DFYJKCDBSOFPHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-11-7-3-6-10-16-14(17)13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11,15H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide?
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide is sourced from PubChem (CID 114127295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).