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

C19H23NO2S — CID 162662632

IUPAC(2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(CS(=O)[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)16-11-9-14(10-12-16)13-23(22)17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-,23?/m1/s1
InChIKeyINICPKOQJUSLOB-LIXIDFRTSA-N
MW329.47 g/mol
LogP3.46
Rot. Bonds5

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

(2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide (PubChem CID 162662632) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide
PubChem CID162662632
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(CS(=O)[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-19(2,3)16-11-9-14(10-12-16)13-23(22)17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-,23?/m1/s1
InChIKeyINICPKOQJUSLOB-LIXIDFRTSA-N
XLogP3.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.46
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)methylsulfinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide (CID 162662632) is (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide is CC(C)(C)c1ccc(CS(=O)[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide?
The InChIKey is INICPKOQJUSLOB-LIXIDFRTSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-19(2,3)16-11-9-14(10-12-16)13-23(22)17(18(20)21)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21)/t17-,23?/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide?
(2R)-2-[(4-tert-butylphenyl)methylsulfinyl]-2-phenylacetamide has a molecular weight of 329.47 g/mol, XLogP of 3.46, 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)methylsulfinyl]-2-phenylacetamide is sourced from PubChem (CID 162662632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).