5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

C18H15ClN2O2S — CID 46470172

IUPAC5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN2O2S/c19-17-8-7-16(24-17)18(22)21-11-13-4-3-6-15(10-13)23-12-14-5-1-2-9-20-14/h1-10H,11-12H2,(H,21,22)
InChIKeyFRYJCJQKKMKDCU-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46470172) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID46470172
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C18H15ClN2O2S/c19-17-8-7-16(24-17)18(22)21-11-13-4-3-6-15(10-13)23-12-14-5-1-2-9-20-14/h1-10H,11-12H2,(H,21,22)
InChIKeyFRYJCJQKKMKDCU-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
2-(4-chlorophenoxy)-2-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55714646
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111131700
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 46470172) is 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is FRYJCJQKKMKDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-17-8-7-16(24-17)18(22)21-11-13-4-3-6-15(10-13)23-12-14-5-1-2-9-20-14/h1-10H,11-12H2,(H,21,22).
What are the key properties of 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46470172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).