(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide

C13H20N2O2S — CID 114171939

IUPAC(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
SMILESN[C@@H](C(=O)NCCSCCCO)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c14-12(11-5-2-1-3-6-11)13(17)15-7-10-18-9-4-8-16/h1-3,5-6,12,16H,4,7-10,14H2,(H,15,17)/t12-/m1/s1
InChIKeyYSUUFTQWMKODAP-GFCCVEGCSA-N
MW268.38 g/mol
LogP0.92
Rot. Bonds8

About (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide

(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide (PubChem CID 114171939) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
PubChem CID114171939
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
SMILESN[C@@H](C(=O)NCCSCCCO)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c14-12(11-5-2-1-3-6-11)13(17)15-7-10-18-9-4-8-16/h1-3,5-6,12,16H,4,7-10,14H2,(H,15,17)/t12-/m1/s1
InChIKeyYSUUFTQWMKODAP-GFCCVEGCSA-N
XLogP0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106313007
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-3-phenylpropanamide
CID 106310884
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
(2S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-phenylbutanamide
CID 106310901
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide (CID 114171939) is (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide is N[C@@H](C(=O)NCCSCCCO)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide?
The InChIKey is YSUUFTQWMKODAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-12(11-5-2-1-3-6-11)13(17)15-7-10-18-9-4-8-16/h1-3,5-6,12,16H,4,7-10,14H2,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide?
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide has a molecular weight of 268.38 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 114171939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).