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

C19H15F3N2OS — CID 90628002

IUPACN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)17-3-1-2-13(7-17)8-18(25)24-10-14-6-16(11-23-9-14)15-4-5-26-12-15/h1-7,9,11-12H,8,10H2,(H,24,25)
InChIKeyKCQKEAGODVHWPK-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.69
Rot. Bonds5

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

N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90628002) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID90628002
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)17-3-1-2-13(7-17)8-18(25)24-10-14-6-16(11-23-9-14)15-4-5-26-12-15/h1-7,9,11-12H,8,10H2,(H,24,25)
InChIKeyKCQKEAGODVHWPK-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962
3-(3-fluoro-4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 90627902
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117087550
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 68553109

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 90628002) is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1cncc(-c2ccsc2)c1.
What is the InChIKey of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KCQKEAGODVHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c20-19(21,22)17-3-1-2-13(7-17)8-18(25)24-10-14-6-16(11-23-9-14)15-4-5-26-12-15/h1-7,9,11-12H,8,10H2,(H,24,25).
What are the key properties of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.40 g/mol, XLogP of 4.69, 5 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90628002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).