N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H15ClN2OS — CID 17466137

IUPACN-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H15ClN2OS/c16-13-3-1-2-11(8-13)9-17-15(19)18-6-4-14-12(10-18)5-7-20-14/h1-3,5,7-8H,4,6,9-10H2,(H,17,19)
InChIKeyHOTQFGQAMWAZIG-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.67
Rot. Bonds2

About N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 17466137) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID17466137
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H15ClN2OS/c16-13-3-1-2-11(8-13)9-17-15(19)18-6-4-14-12(10-18)5-7-20-14/h1-3,5,7-8H,4,6,9-10H2,(H,17,19)
InChIKeyHOTQFGQAMWAZIG-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 17466137) is N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCc1cccc(Cl)c1)N1CCc2sccc2C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is HOTQFGQAMWAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-3-1-2-11(8-13)9-17-15(19)18-6-4-14-12(10-18)5-7-20-14/h1-3,5,7-8H,4,6,9-10H2,(H,17,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 17466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).