5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide

C13H13NO2S — CID 1483382

IUPAC5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H13NO2S/c1-14-13(15)12-8-7-11(17-12)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyCBCLIHJNAKLTOA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.78
Rot. Bonds3

About 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide

5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 1483382) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID1483382
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C13H13NO2S/c1-14-13(15)12-8-7-11(17-12)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyCBCLIHJNAKLTOA-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 1483382) is 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is CBCLIHJNAKLTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-14-13(15)12-8-7-11(17-12)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 1483382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).