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

C21H16ClF3N2OS — CID 57325921

IUPACN-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16ClF3N2OS/c22-15-5-7-16(8-6-15)26-20(28)27-11-9-18-17(10-12-29-18)19(27)13-1-3-14(4-2-13)21(23,24)25/h1-8,10,12,19H,9,11H2,(H,26,28)
InChIKeyMULBDPMFMRBRMK-UHFFFAOYSA-N
MW436.89 g/mol
LogP6.60
Rot. Bonds2

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

N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325921) has the molecular formula C21H16ClF3N2OS and a molecular weight of 436.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325921
Molecular FormulaC21H16ClF3N2OS
Molecular Weight436.89 g/mol
Exact Mass436.06
IUPAC NameN-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16ClF3N2OS/c22-15-5-7-16(8-6-15)26-20(28)27-11-9-18-17(10-12-29-18)19(27)13-1-3-14(4-2-13)21(23,24)25/h1-8,10,12,19H,9,11H2,(H,26,28)
InChIKeyMULBDPMFMRBRMK-UHFFFAOYSA-N
XLogP6.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325921) is N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is MULBDPMFMRBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2OS/c22-15-5-7-16(8-6-15)26-20(28)27-11-9-18-17(10-12-29-18)19(27)13-1-3-14(4-2-13)21(23,24)25/h1-8,10,12,19H,9,11H2,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 6.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).