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

C20H15Cl3N2OS — CID 155568207

IUPAC4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl3N2OS/c21-13-3-1-12(2-4-13)19-17-6-8-27-18(17)5-7-25(19)20(26)24-16-10-14(22)9-15(23)11-16/h1-4,6,8-11,19H,5,7H2,(H,24,26)
InChIKeyKWWIBEXHEKAHKD-UHFFFAOYSA-N
MW437.78 g/mol
LogP6.89
Rot. Bonds2

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

4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155568207) has the molecular formula C20H15Cl3N2OS and a molecular weight of 437.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155568207
Molecular FormulaC20H15Cl3N2OS
Molecular Weight437.78 g/mol
Exact Mass436.00
IUPAC Name4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl3N2OS/c21-13-3-1-12(2-4-13)19-17-6-8-27-18(17)5-7-25(19)20(26)24-16-10-14(22)9-15(23)11-16/h1-4,6,8-11,19H,5,7H2,(H,24,26)
InChIKeyKWWIBEXHEKAHKD-UHFFFAOYSA-N
XLogP6.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739405
N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325593
4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325681
4-(4-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325683
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155516839
N-benzo[b]thiophen-3-ylmethyl-N'-(3,5-dichlorophenyl)urea
CID 2732430
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739364
N-(2,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 2739407
1-(3-Chlorophenyl)-3-(4-methylphenyl)-3-[(thiophen-2-YL)methyl]urea
CID 16015958
1-(5-Chloro-2-methylphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016718
N-(3-Chloro-4-fluorophenyl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-C]pyridine-6-carboxamide
CID 16028587
N-(2,6-dichlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24133757

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155568207) is 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is KWWIBEXHEKAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2OS/c21-13-3-1-12(2-4-13)19-17-6-8-27-18(17)5-7-25(19)20(26)24-16-10-14(22)9-15(23)11-16/h1-4,6,8-11,19H,5,7H2,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 437.78 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155568207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).