5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

C13H12ClNO2S — CID 887260

IUPAC5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccs1
InChIInChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOHJVILLDEBQSCC-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 887260) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID887260
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccs1
InChIInChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOHJVILLDEBQSCC-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 71804650
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105094097
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 887260) is 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(Cl)cc1C(=O)NCc1cccs1.
What is the InChIKey of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OHJVILLDEBQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 281.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).