N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide

C14H15NO3S — CID 9264592

IUPACN-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C14H15NO3S/c1-17-11-3-4-12(13(8-11)18-2)15-14(16)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyKTIVPHBNRVYARO-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.95
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide

N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide (PubChem CID 9264592) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide
PubChem CID9264592
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C14H15NO3S/c1-17-11-3-4-12(13(8-11)18-2)15-14(16)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyKTIVPHBNRVYARO-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide (CID 9264592) is N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide is COc1ccc(NC(=O)Cc2ccsc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is KTIVPHBNRVYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-17-11-3-4-12(13(8-11)18-2)15-14(16)7-10-5-6-19-9-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 277.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 9264592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).