4-ethoxy-N-(3-methylsulfanylphenyl)benzamide

C16H17NO2S — CID 837888

IUPAC4-ethoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-3-19-14-9-7-12(8-10-14)16(18)17-13-5-4-6-15(11-13)20-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyDTYJTYBLOKTMHT-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.06
Rot. Bonds5

About 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide

4-ethoxy-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 837888) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methylsulfanylphenyl)benzamide
PubChem CID837888
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name4-ethoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-3-19-14-9-7-12(8-10-14)16(18)17-13-5-4-6-15(11-13)20-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyDTYJTYBLOKTMHT-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 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide (CID 837888) is 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide is CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is DTYJTYBLOKTMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-19-14-9-7-12(8-10-14)16(18)17-13-5-4-6-15(11-13)20-2/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide?
4-ethoxy-N-(3-methylsulfanylphenyl)benzamide 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 4-ethoxy-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 837888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).