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

C20H16Cl2N2OS — CID 2739304

IUPACN,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2OS/c21-14-3-1-13(2-4-14)19-17-10-12-26-18(17)9-11-24(19)20(25)23-16-7-5-15(22)6-8-16/h1-8,10,12,19H,9,11H2,(H,23,25)
InChIKeyCZVOGSNEDKVQBN-UHFFFAOYSA-N
MW403.33 g/mol
LogP6.23
Rot. Bonds2

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

N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 2739304) has the molecular formula C20H16Cl2N2OS and a molecular weight of 403.33 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID2739304
Molecular FormulaC20H16Cl2N2OS
Molecular Weight403.33 g/mol
Exact Mass402.04
IUPAC NameN,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2OS/c21-14-3-1-13(2-4-14)19-17-10-12-26-18(17)9-11-24(19)20(25)23-16-7-5-15(22)6-8-16/h1-8,10,12,19H,9,11H2,(H,23,25)
InChIKeyCZVOGSNEDKVQBN-UHFFFAOYSA-N
XLogP6.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.33
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 2739304) is N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is CZVOGSNEDKVQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2OS/c21-14-3-1-13(2-4-14)19-17-10-12-26-18(17)9-11-24(19)20(25)23-16-7-5-15(22)6-8-16/h1-8,10,12,19H,9,11H2,(H,23,25).
What are the key properties of N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 403.33 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 2739304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).