N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide

C16H17NO2S — CID 967770

IUPACN-(4-ethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H17NO2S/c1-3-19-13-10-8-12(9-11-13)17-16(18)14-6-4-5-7-15(14)20-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyJEJWRRBTFRTSDS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.06
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide

N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide (PubChem CID 967770) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methylsulfanylbenzamide
PubChem CID967770
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-ethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C16H17NO2S/c1-3-19-13-10-8-12(9-11-13)17-16(18)14-6-4-5-7-15(14)20-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyJEJWRRBTFRTSDS-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide (CID 967770) is N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide is CCOc1ccc(NC(=O)c2ccccc2SC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide?
The InChIKey is JEJWRRBTFRTSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-19-13-10-8-12(9-11-13)17-16(18)14-6-4-5-7-15(14)20-2/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide?
N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 967770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).