N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

C17H19NO2S — CID 2976194

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(19)15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyNVWIZAPZONJKPT-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 2976194) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID2976194
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(19)15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyNVWIZAPZONJKPT-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (CID 2976194) is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is COc1ccc(CCNC(=O)c2ccccc2SC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is NVWIZAPZONJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-14-9-7-13(8-10-14)11-12-18-17(19)15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2976194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).