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

C20H15Cl2FN2OS — CID 155564366

IUPACN-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1F
InChIInChI=1S/C20H15Cl2FN2OS/c21-12-9-13(22)11-14(10-12)24-20(26)25-7-5-18-16(6-8-27-18)19(25)15-3-1-2-4-17(15)23/h1-4,6,8-11,19H,5,7H2,(H,24,26)
InChIKeyQVFSEQJBHNZOMN-UHFFFAOYSA-N
MW421.32 g/mol
LogP6.37
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155564366) has the molecular formula C20H15Cl2FN2OS and a molecular weight of 421.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155564366
Molecular FormulaC20H15Cl2FN2OS
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC NameN-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1F
InChIInChI=1S/C20H15Cl2FN2OS/c21-12-9-13(22)11-14(10-12)24-20(26)25-7-5-18-16(6-8-27-18)19(25)15-3-1-2-4-17(15)23/h1-4,6,8-11,19H,5,7H2,(H,24,26)
InChIKeyQVFSEQJBHNZOMN-UHFFFAOYSA-N
XLogP6.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.32
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155564366) is N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1F.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is QVFSEQJBHNZOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2OS/c21-12-9-13(22)11-14(10-12)24-20(26)25-7-5-18-16(6-8-27-18)19(25)15-3-1-2-4-17(15)23/h1-4,6,8-11,19H,5,7H2,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 6.37, 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-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155564366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).