N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide

C16H14ClNO2S — CID 34829216

IUPACN-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H14ClNO2S/c1-10(19)11-4-3-5-12(8-11)18-16(20)14-9-13(21-2)6-7-15(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyNSZBTBSYJMGXAN-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.52
Rot. Bonds4

About N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide

N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 34829216) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID34829216
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC NameN-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H14ClNO2S/c1-10(19)11-4-3-5-12(8-11)18-16(20)14-9-13(21-2)6-7-15(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyNSZBTBSYJMGXAN-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
1-(3-acetylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489029
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 26523987
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-chloro-5-methylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 46413072
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
2-chloro-N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-5-methylsulfanylbenzamide
CID 53154034

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide (CID 34829216) is N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is NSZBTBSYJMGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-10(19)11-4-3-5-12(8-11)18-16(20)14-9-13(21-2)6-7-15(14)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide?
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 319.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 34829216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).