N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide

C13H12ClNOS — CID 823403

IUPACN-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C13H12ClNOS/c1-9-4-5-10(7-12(9)14)15-13(16)8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyYYWQUDLJNHFLHQ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.89
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide

N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 823403) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID823403
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC NameN-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C13H12ClNOS/c1-9-4-5-10(7-12(9)14)15-13(16)8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyYYWQUDLJNHFLHQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide (CID 823403) is N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide is Cc1ccc(NC(=O)Cc2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is YYWQUDLJNHFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-4-5-10(7-12(9)14)15-13(16)8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide?
N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 265.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 823403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).