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

C21H16F4N2OS — CID 57325923

IUPACN-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N2OS/c22-15-2-1-3-16(12-15)26-20(28)27-10-8-18-17(9-11-29-18)19(27)13-4-6-14(7-5-13)21(23,24)25/h1-7,9,11-12,19H,8,10H2,(H,26,28)
InChIKeyLJWFMELYNHKQCS-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.09
Rot. Bonds2

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

N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325923) has the molecular formula C21H16F4N2OS and a molecular weight of 420.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325923
Molecular FormulaC21H16F4N2OS
Molecular Weight420.43 g/mol
Exact Mass420.09
IUPAC NameN-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F4N2OS/c22-15-2-1-3-16(12-15)26-20(28)27-10-8-18-17(9-11-29-18)19(27)13-4-6-14(7-5-13)21(23,24)25/h1-7,9,11-12,19H,8,10H2,(H,26,28)
InChIKeyLJWFMELYNHKQCS-UHFFFAOYSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-p-Tolyl-3-(4-(4-(6-trifluoromethylbenzo(b)thien-3-yl)piperazin-1-yl)butyl)urea
CID 9891761
1-Cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea
CID 10695203
1-Cycloheptyl-1-[(4-thiophen-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea
CID 10813758
4-methyl-N-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
CID 3484025
N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739405
N-(3-fluoro-4-methylphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
CID 16028521
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-thiophen-2-yl-phenyl)-urea
CID 44295406
3-[3-(Dimethylamino)propyl]-4-thiophen-2-yl-1,4-dihydroquinazolin-2-one
CID 44343864
N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325593
N-phenyl-4-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325679
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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325923) is N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is LJWFMELYNHKQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2OS/c22-15-2-1-3-16(12-15)26-20(28)27-10-8-18-17(9-11-29-18)19(27)13-4-6-14(7-5-13)21(23,24)25/h1-7,9,11-12,19H,8,10H2,(H,26,28).
What are the key properties of N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).