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

C21H19ClN2O2S — CID 155563159

IUPACN-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-26-17-8-2-14(3-9-17)20-18-11-13-27-19(18)10-12-24(20)21(25)23-16-6-4-15(22)5-7-16/h2-9,11,13,20H,10,12H2,1H3,(H,23,25)
InChIKeyRSYWZXKRITYMAL-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.59
Rot. Bonds3

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

N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155563159) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155563159
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-26-17-8-2-14(3-9-17)20-18-11-13-27-19(18)10-12-24(20)21(25)23-16-6-4-15(22)5-7-16/h2-9,11,13,20H,10,12H2,1H3,(H,23,25)
InChIKeyRSYWZXKRITYMAL-UHFFFAOYSA-N
XLogP5.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155563159) is N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RSYWZXKRITYMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-26-17-8-2-14(3-9-17)20-18-11-13-27-19(18)10-12-24(20)21(25)23-16-6-4-15(22)5-7-16/h2-9,11,13,20H,10,12H2,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155563159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).