2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide

C16H16ClNO2S — CID 603984

IUPAC2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-3-20-12-6-4-11(5-7-12)18-16(19)14-10-13(21-2)8-9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNFTGJNJRMWUBPG-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.71
Rot. Bonds5

About 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide

2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide (PubChem CID 603984) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide
PubChem CID603984
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-3-20-12-6-4-11(5-7-12)18-16(19)14-10-13(21-2)8-9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNFTGJNJRMWUBPG-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-methoxyphenyl)benzamide
CID 346660
2-Chloro-N-(4-methoxyphenyl)-5-(methylthio)benzamide
CID 847891
4-Chloro-4'-ethoxybenzanilide
CID 587141
N-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 3978878
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
N-(4-methoxyphenyl)-2-(methylthio)benzamide
CID 961858
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 678908
2-chloro-5-[(1,1-dioxidothiomorpholin-4-yl)sulfonyl]-N-(4-methoxyphenyl)benzamide
CID 1217079
[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
N-(4-butoxyphenyl)-2-chloro-4,5-difluorobenzamide
CID 2581240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide (CID 603984) is 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide is CCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide?
The InChIKey is NFTGJNJRMWUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-3-20-12-6-4-11(5-7-12)18-16(19)14-10-13(21-2)8-9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(4-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-(4-ethoxyphenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 603984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).