4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide

C17H13ClN2O2S — CID 19503359

IUPAC4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H13ClN2O2S/c18-13-4-6-14(7-5-13)22-10-12-9-15(23-11-12)17(21)20-16-3-1-2-8-19-16/h1-9,11H,10H2,(H,19,20,21)
InChIKeyFEOAYDCHRZFHNI-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.63
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide

4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 19503359) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID19503359
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H13ClN2O2S/c18-13-4-6-14(7-5-13)22-10-12-9-15(23-11-12)17(21)20-16-3-1-2-8-19-16/h1-9,11H,10H2,(H,19,20,21)
InChIKeyFEOAYDCHRZFHNI-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-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

Related Compounds

4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(4-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503366
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503263
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (CID 19503359) is 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide is O=C(Nc1ccccn1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is FEOAYDCHRZFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-13-4-6-14(7-5-13)22-10-12-9-15(23-11-12)17(21)20-16-3-1-2-8-19-16/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 19503359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).