N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

C18H13F3N2OS — CID 91630191

IUPACN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)23-10-12-4-3-8-22-16(12)13-7-9-25-11-13/h1-9,11H,10H2,(H,23,24)
InChIKeyKLUMTWUNLKXHMH-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.76
Rot. Bonds4

About N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 91630191) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID91630191
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)23-10-12-4-3-8-22-16(12)13-7-9-25-11-13/h1-9,11H,10H2,(H,23,24)
InChIKeyKLUMTWUNLKXHMH-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (CID 91630191) is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1cccnc1-c1ccsc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KLUMTWUNLKXHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)23-10-12-4-3-8-22-16(12)13-7-9-25-11-13/h1-9,11H,10H2,(H,23,24).
What are the key properties of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 362.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91630191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).