(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide

C19H23NOS — CID 162649781

IUPAC(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(CS[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c1-19(2,3)16-11-9-14(10-12-16)13-22-17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-/m1/s1
InChIKeyYLDWUEXMDRZLFO-QGZVFWFLSA-N
MW313.47 g/mol
LogP4.44
Rot. Bonds5

About (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide

(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide (PubChem CID 162649781) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide
PubChem CID162649781
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(CS[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c1-19(2,3)16-11-9-14(10-12-16)13-22-17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-/m1/s1
InChIKeyYLDWUEXMDRZLFO-QGZVFWFLSA-N
XLogP4.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide (CID 162649781) is (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide is CC(C)(C)c1ccc(CS[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide?
The InChIKey is YLDWUEXMDRZLFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(2,3)16-11-9-14(10-12-16)13-22-17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide?
(2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide has a molecular weight of 313.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-tert-butylphenyl)methylsulfanyl]-2-phenylacetamide is sourced from PubChem (CID 162649781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).