2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide

C17H19NO2S — CID 978212

IUPAC2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H19NO2S/c1-3-21-16-7-5-4-6-15(16)17(19)18-12-13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyFNCBQUCWZWXMER-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.74
Rot. Bonds6

About 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide

2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 978212) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID978212
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H19NO2S/c1-3-21-16-7-5-4-6-15(16)17(19)18-12-13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyFNCBQUCWZWXMER-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
4-Methoxy-N-{2,2,2-trichloro-1-[(4-chlorophenyl)thio]ethyl}benzamide
CID 2830270
Thiophene derivative, 3f
CID 25023799
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
4-isopropyl-N-(4-methoxybenzyl)benzamide
CID 897223
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
2-benzylsulfanyl-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5147612
N-benzyl-4-methoxybenzamide
CID 346035

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide (CID 978212) is 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide is CCSc1ccccc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is FNCBQUCWZWXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-21-16-7-5-4-6-15(16)17(19)18-12-13-8-10-14(20-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide?
2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).