N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide

C26H18F6N2OS — CID 73350995

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C26H18F6N2OS/c27-25(28,29)21-10-17(11-22(12-21)26(30,31)32)14-34(24(35)19-7-9-36-16-19)15-20-13-33-8-6-23(20)18-4-2-1-3-5-18/h1-13,16H,14-15H2
InChIKeyNSBYWYWYJGEAKO-UHFFFAOYSA-N
MW520.50 g/mol
LogP7.69
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 73350995) has the molecular formula C26H18F6N2OS and a molecular weight of 520.50 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID73350995
Molecular FormulaC26H18F6N2OS
Molecular Weight520.50 g/mol
Exact Mass520.10
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C26H18F6N2OS/c27-25(28,29)21-10-17(11-22(12-21)26(30,31)32)14-34(24(35)19-7-9-36-16-19)15-20-13-33-8-6-23(20)18-4-2-1-3-5-18/h1-13,16H,14-15H2
InChIKeyNSBYWYWYJGEAKO-UHFFFAOYSA-N
XLogP7.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide (CID 73350995) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide is O=C(c1ccsc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is NSBYWYWYJGEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2OS/c27-25(28,29)21-10-17(11-22(12-21)26(30,31)32)14-34(24(35)19-7-9-36-16-19)15-20-13-33-8-6-23(20)18-4-2-1-3-5-18/h1-13,16H,14-15H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 520.50 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 73350995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).