(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide

C13H16N2OS — CID 96550432

IUPAC(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CS[C@@H](C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2OS/c1-9(2)8-17-12(13(15)16)11-5-3-10(7-14)4-6-11/h3-6,9,12H,8H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyLCCROZPVBKHSLZ-GFCCVEGCSA-N
MW248.35 g/mol
LogP2.47
Rot. Bonds5

About (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide

(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 96550432) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide
PubChem CID96550432
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CS[C@@H](C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2OS/c1-9(2)8-17-12(13(15)16)11-5-3-10(7-14)4-6-11/h3-6,9,12H,8H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyLCCROZPVBKHSLZ-GFCCVEGCSA-N
XLogP2.47
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide 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

(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
CID 96550452
(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 95333171
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
4-[1-[4-(4-cyanophenyl)phenyl]sulfanyl-3-methylbutyl]benzamide
CID 141128226
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide (CID 96550432) is (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide is CC(C)CS[C@@H](C(N)=O)c1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is LCCROZPVBKHSLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)8-17-12(13(15)16)11-5-3-10(7-14)4-6-11/h3-6,9,12H,8H2,1-2H3,(H2,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide?
(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 96550432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).