5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

C15H11ClN2OS2 — CID 91625615

IUPAC5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClN2OS2/c16-14-2-1-13(21-14)15(19)18-8-10-3-5-17-12(7-10)11-4-6-20-9-11/h1-7,9H,8H2,(H,18,19)
InChIKeyTWIKZJOSENWUEU-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.45
Rot. Bonds4

About 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide

5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 91625615) has the molecular formula C15H11ClN2OS2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID91625615
Molecular FormulaC15H11ClN2OS2
Molecular Weight334.85 g/mol
Exact Mass334.00
IUPAC Name5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClN2OS2/c16-14-2-1-13(21-14)15(19)18-8-10-3-5-17-12(7-10)11-4-6-20-9-11/h1-7,9H,8H2,(H,18,19)
InChIKeyTWIKZJOSENWUEU-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91625618
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 121165751
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121165941
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
2-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121165721
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 91625615) is 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is TWIKZJOSENWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS2/c16-14-2-1-13(21-14)15(19)18-8-10-3-5-17-12(7-10)11-4-6-20-9-11/h1-7,9H,8H2,(H,18,19).
What are the key properties of 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91625615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).