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

C20H14Cl2F2N2OS — CID 155530584

IUPACN-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(F)c(F)c1
InChIInChI=1S/C20H14Cl2F2N2OS/c21-12-8-13(22)10-14(9-12)25-20(27)26-5-3-18-15(4-6-28-18)19(26)11-1-2-16(23)17(24)7-11/h1-2,4,6-10,19H,3,5H2,(H,25,27)
InChIKeyRQUKUFPLLNLMTE-UHFFFAOYSA-N
MW439.31 g/mol
LogP6.51
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155530584) has the molecular formula C20H14Cl2F2N2OS and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155530584
Molecular FormulaC20H14Cl2F2N2OS
Molecular Weight439.31 g/mol
Exact Mass438.02
IUPAC NameN-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(F)c(F)c1
InChIInChI=1S/C20H14Cl2F2N2OS/c21-12-8-13(22)10-14(9-12)25-20(27)26-5-3-18-15(4-6-28-18)19(26)11-1-2-16(23)17(24)7-11/h1-2,4,6-10,19H,3,5H2,(H,25,27)
InChIKeyRQUKUFPLLNLMTE-UHFFFAOYSA-N
XLogP6.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155526147
4-(4-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325683
(4R)-N-(3-chlorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925619
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325924
(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6976196
N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
1-[4-[4-[(3,4-difluorophenyl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46962428
1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone
CID 7494993
[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6976183
1-[(4S)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7409512
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155530584) is N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is RQUKUFPLLNLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N2OS/c21-12-8-13(22)10-14(9-12)25-20(27)26-5-3-18-15(4-6-28-18)19(26)11-1-2-16(23)17(24)7-11/h1-2,4,6-10,19H,3,5H2,(H,25,27).
What are the key properties of N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 6.51, 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-(3,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155530584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).