N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

C18H13F3N2OS — CID 90627839

IUPACN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)16-4-2-1-3-15(16)17(24)23-9-12-7-14(10-22-8-12)13-5-6-25-11-13/h1-8,10-11H,9H2,(H,23,24)
InChIKeyUDWSJNQIWOPBNR-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide

N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 90627839) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID90627839
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)16-4-2-1-3-15(16)17(24)23-9-12-7-14(10-22-8-12)13-5-6-25-11-13/h1-8,10-11H,9H2,(H,23,24)
InChIKeyUDWSJNQIWOPBNR-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-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[2-[4-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578730
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 47066424
1-(1-adamantyl)-3-[(5-thiophen-3-yl-3-pyridinyl)methyl]urea
CID 90628030
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627861

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide (CID 90627839) is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is UDWSJNQIWOPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)16-4-2-1-3-15(16)17(24)23-9-12-7-14(10-22-8-12)13-5-6-25-11-13/h1-8,10-11H,9H2,(H,23,24).
What are the key properties of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide?
N-[(5-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-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 90627839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).