2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

C19H23NO2S — CID 2896543

IUPAC2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15(23-14-17-6-4-3-5-7-17)19(21)20-13-12-16-8-10-18(22-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)
InChIKeyDIJOPJPJNZSEIX-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.68
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 2896543) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID2896543
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15(23-14-17-6-4-3-5-7-17)19(21)20-13-12-16-8-10-18(22-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,20,21)
InChIKeyDIJOPJPJNZSEIX-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 2896543) is 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)SCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is DIJOPJPJNZSEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15(23-14-17-6-4-3-5-7-17)19(21)20-13-12-16-8-10-18(22-2)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 2896543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).