N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C16H14N2O2S — CID 3753051

IUPACN-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-13-6-4-12(5-7-13)17-16(19)15-14(8-11-21-15)18-9-2-3-10-18/h2-11H,1H3,(H,17,19)
InChIKeyPSDMLAGSFMNMIO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.80
Rot. Bonds4

About N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 3753051) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID3753051
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-13-6-4-12(5-7-13)17-16(19)15-14(8-11-21-15)18-9-2-3-10-18/h2-11H,1H3,(H,17,19)
InChIKeyPSDMLAGSFMNMIO-UHFFFAOYSA-N
XLogP3.80
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 3753051) is N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is PSDMLAGSFMNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-13-6-4-12(5-7-13)17-16(19)15-14(8-11-21-15)18-9-2-3-10-18/h2-11H,1H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 3753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).