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

C21H18Cl2N2OS — CID 155532999

IUPACN-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H18Cl2N2OS/c1-13-2-4-14(5-3-13)20-18-7-9-27-19(18)6-8-25(20)21(26)24-17-11-15(22)10-16(23)12-17/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)
InChIKeyUASRQNQGPSMRKH-UHFFFAOYSA-N
MW417.36 g/mol
LogP6.54
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155532999) has the molecular formula C21H18Cl2N2OS and a molecular weight of 417.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155532999
Molecular FormulaC21H18Cl2N2OS
Molecular Weight417.36 g/mol
Exact Mass416.05
IUPAC NameN-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H18Cl2N2OS/c1-13-2-4-14(5-3-13)20-18-7-9-27-19(18)6-8-25(20)21(26)24-17-11-15(22)10-16(23)12-17/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)
InChIKeyUASRQNQGPSMRKH-UHFFFAOYSA-N
XLogP6.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-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-(2-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325922
N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325923
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325924
N-(4-fluorophenyl)-7-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 57325926
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155516839
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155568207
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155532999) is N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is UASRQNQGPSMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2OS/c1-13-2-4-14(5-3-13)20-18-7-9-27-19(18)6-8-25(20)21(26)24-17-11-15(22)10-16(23)12-17/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 417.36 g/mol, XLogP of 6.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155532999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).