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

C16H15ClN2O2S — CID 2806309

IUPACN-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)
InChIKeyWGQINEYXJOMCCW-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.87
Rot. Bonds1

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

N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 2806309) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID2806309
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC1c2ccsc2CCN1C(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)
InChIKeyWGQINEYXJOMCCW-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 2806309) is N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC1c2ccsc2CCN1C(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is WGQINEYXJOMCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21).
What are the key properties of N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 2806309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).