N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C24H18F3N3O2S — CID 162639576

IUPACN-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc(CNC(=O)c2cc3ccncc3s2)c1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)19-7-2-1-5-18(19)13-30-22(31)17-6-3-4-15(10-17)12-29-23(32)20-11-16-8-9-28-14-21(16)33-20/h1-11,14H,12-13H2,(H,29,32)(H,30,31)
InChIKeyWBFOWROLULDQBM-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.18
Rot. Bonds6

About N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 162639576) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID162639576
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc(CNC(=O)c2cc3ccncc3s2)c1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)19-7-2-1-5-18(19)13-30-22(31)17-6-3-4-15(10-17)12-29-23(32)20-11-16-8-9-28-14-21(16)33-20/h1-11,14H,12-13H2,(H,29,32)(H,30,31)
InChIKeyWBFOWROLULDQBM-UHFFFAOYSA-N
XLogP5.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 162639576) is N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cccc(CNC(=O)c2cc3ccncc3s2)c1.
What is the InChIKey of N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is WBFOWROLULDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c25-24(26,27)19-7-2-1-5-18(19)13-30-22(31)17-6-3-4-15(10-17)12-29-23(32)20-11-16-8-9-28-14-21(16)33-20/h1-11,14H,12-13H2,(H,29,32)(H,30,31).
What are the key properties of N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162639576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).