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

C18H15ClN2O2S — CID 19486726

IUPAC4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1csc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-12-8-14(19)5-6-15(12)23-10-13-9-16(24-11-13)18(22)21-17-4-2-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyOHQFGUZQAOGMHR-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.94
Rot. Bonds5

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

4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 19486726) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID19486726
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1csc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-12-8-14(19)5-6-15(12)23-10-13-9-16(24-11-13)18(22)21-17-4-2-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyOHQFGUZQAOGMHR-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
4-[(4-chloro-2-methylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 19486841
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19486686
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 19486813
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483502
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19486745
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 19486728
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501357
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide (CID 19486726) is 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide is Cc1cc(Cl)ccc1OCc1csc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is OHQFGUZQAOGMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12-8-14(19)5-6-15(12)23-10-13-9-16(24-11-13)18(22)21-17-4-2-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 19486726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).