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

C13H12ClNO2S — CID 762690

IUPACN-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(7-11(12)14)15-13(16)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUYJGCODYBCVKLX-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.59
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide (PubChem CID 762690) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide
PubChem CID762690
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(7-11(12)14)15-13(16)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUYJGCODYBCVKLX-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
2-[2-Chloro-N-(3-chloro-4-methoxyphenyl)acetamido]-N-cyclohexyl-2-(thiophen-2-YL)acetamide
CID 5062094
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2443459
N-(3-chloro-4-methoxyphenyl)-N'-thien-2-ylurea
CID 16193595
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 1256034
N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 803021
N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2388217
Acetamide, N-(4-methoxyphenyl)-2-(2-thienyl)-
CID 531786
N~4~-(3-chloro-4-methoxyphenyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243556
N-(4-methoxyphenyl)-5-(2-thienyl)pentanamide
CID 2162220

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide (CID 762690) is N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide is COc1ccc(NC(=O)Cc2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is UYJGCODYBCVKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(7-11(12)14)15-13(16)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 281.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 762690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).