2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide

C19H23NO2S — CID 97417698

IUPAC2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCO[C@@H](CNC(=O)CSCc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-15-8-6-7-11-17(15)18(22-2)12-20-19(21)14-23-13-16-9-4-3-5-10-16/h3-11,18H,12-14H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyLKTGSKJDVHAXAL-SFHVURJKSA-N
MW329.47 g/mol
LogP3.73
Rot. Bonds8

About 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide

2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide (PubChem CID 97417698) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide
PubChem CID97417698
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCO[C@@H](CNC(=O)CSCc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-15-8-6-7-11-17(15)18(22-2)12-20-19(21)14-23-13-16-9-4-3-5-10-16/h3-11,18H,12-14H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyLKTGSKJDVHAXAL-SFHVURJKSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide (CID 97417698) is 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide is CO[C@@H](CNC(=O)CSCc1ccccc1)c1ccccc1C.
What is the InChIKey of 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is LKTGSKJDVHAXAL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-8-6-7-11-17(15)18(22-2)12-20-19(21)14-23-13-16-9-4-3-5-10-16/h3-11,18H,12-14H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 97417698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).