N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide

C26H18F6N2OS — CID 73350994

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C26H18F6N2OS/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-34(24(35)23-7-4-10-36-23)16-19-14-33-9-8-22(19)18-5-2-1-3-6-18/h1-14H,15-16H2
InChIKeyWHSKAJATDJULDA-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-2-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 73350994) 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-2-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID73350994
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-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1
InChIInChI=1S/C26H18F6N2OS/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-34(24(35)23-7-4-10-36-23)16-19-14-33-9-8-22(19)18-5-2-1-3-6-18/h1-14H,15-16H2
InChIKeyWHSKAJATDJULDA-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-2-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 73350994) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide is O=C(c1cccs1)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-2-carboxamide?
The InChIKey is WHSKAJATDJULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2OS/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-34(24(35)23-7-4-10-36-23)16-19-14-33-9-8-22(19)18-5-2-1-3-6-18/h1-14H,15-16H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 73350994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).