(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide

C18H18N2OS — CID 96550452

IUPAC(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
SMILESN#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C18H18N2OS/c19-13-15-8-10-16(11-9-15)17(18(20)21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H2,20,21)/t17-/m1/s1
InChIKeyMLVFLZHWWOIDFI-QGZVFWFLSA-N
MW310.42 g/mol
LogP3.45
Rot. Bonds7

About (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide

(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide (PubChem CID 96550452) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
PubChem CID96550452
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
SMILESN#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C18H18N2OS/c19-13-15-8-10-16(11-9-15)17(18(20)21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H2,20,21)/t17-/m1/s1
InChIKeyMLVFLZHWWOIDFI-QGZVFWFLSA-N
XLogP3.45
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 96550432
4-(8-phenyloctyl)benzonitrile
CID 21257462
(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 95333171
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686
4-(1-cyano-3-phenylpropyl)benzonitrile
CID 82137801
2-[2-(4-cyanoanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid
CID 3674520
(4-cyanophenyl)methyl N'-(2-phenylethyl)carbamimidothioate
CID 8775403
4-(1,2-diphenylethyl)benzonitrile
CID 10039481
(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
CID 94342118
4-(3-phenylpropylsulfonylmethyl)benzonitrile
CID 82178242
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide?
The IUPAC name of (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide (CID 96550452) is (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide.
What is the SMILES notation for (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide?
The canonical SMILES for (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide is N#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1.
What is the InChIKey of (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide?
The InChIKey is MLVFLZHWWOIDFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2OS/c19-13-15-8-10-16(11-9-15)17(18(20)21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H2,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide?
(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 3.45, 7 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-(3-phenylpropylsulfanyl)acetamide is sourced from PubChem (CID 96550452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).