N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C22H19F3N2O2S — CID 57325849

IUPACN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O2S/c1-29-17-8-6-16(7-9-17)26-21(28)27-12-10-19-18(11-13-30-19)20(27)14-2-4-15(5-3-14)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3,(H,26,28)
InChIKeyBEJSPXGBHRZNPB-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.96
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325849) has the molecular formula C22H19F3N2O2S and a molecular weight of 432.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325849
Molecular FormulaC22H19F3N2O2S
Molecular Weight432.47 g/mol
Exact Mass432.11
IUPAC NameN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H19F3N2O2S/c1-29-17-8-6-16(7-9-17)26-21(28)27-12-10-19-18(11-13-30-19)20(27)14-2-4-15(5-3-14)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3,(H,26,28)
InChIKeyBEJSPXGBHRZNPB-UHFFFAOYSA-N
XLogP5.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155563159
N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-methyl-2-(thiophen-2-yl)acetamide
CID 4661529
N-(4-methoxyphenyl)-4-[1-(4-methylbenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
CID 12004795
N-(2-ethoxyphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
CID 16028517
1-(3-Amino-3-thiophen-2-yl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
CID 44387908
4-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155527311
(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155528786
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155542952
4-(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155546314
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155561384
N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155561534
1-(4-Methoxyphenyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 16015960

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325849) is N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is BEJSPXGBHRZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2S/c1-29-17-8-6-16(7-9-17)26-21(28)27-12-10-19-18(11-13-30-19)20(27)14-2-4-15(5-3-14)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).