2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide

C16H16ClNO2S — CID 2550769

IUPAC2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-3-20-15-7-5-4-6-14(15)18-16(19)12-10-11(21-2)8-9-13(12)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyZMFOTIUGMYPVGH-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.71
Rot. Bonds5

About 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide

2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide (PubChem CID 2550769) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide
PubChem CID2550769
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-3-20-15-7-5-4-6-14(15)18-16(19)12-10-11(21-2)8-9-13(12)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyZMFOTIUGMYPVGH-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-N-(4-ethoxyphenyl)-5-(methylthio)benzamide
CID 603984
N-(2-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
2-Chloro-N-(4-methoxyphenyl)-5-(methylthio)benzamide
CID 847891
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-chloro-N-[2-(4-ethylphenoxy)ethyl]-5-methylsulfanylbenzamide
CID 2174530
2,4-dichloro-N-(2-methoxyphenyl)benzamide
CID 347070
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194
[2-(2,4-Dimethoxyanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 5028075
(2-Chloro-5-methylsulfanylphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 5297182
2-chloro-5-(methylthio)-N-[4-(pentyloxy)phenyl]benzamide
CID 2227910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide (CID 2550769) is 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide is CCOc1ccccc1NC(=O)c1cc(SC)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide?
The InChIKey is ZMFOTIUGMYPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-3-20-15-7-5-4-6-14(15)18-16(19)12-10-11(21-2)8-9-13(12)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide has a molecular weight of 321.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyphenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 2550769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).