N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide

C16H15F3N2OS — CID 60597744

IUPACN-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCC(c1cccnc1)N(C)C(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2OS/c1-11(13-4-3-9-20-10-13)21(2)15(22)12-5-7-14(8-6-12)23-16(17,18)19/h3-11H,1-2H3
InChIKeyVXXBZOYKETXZQW-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.53
Rot. Bonds4

About N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide

N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 60597744) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID60597744
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCC(c1cccnc1)N(C)C(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2OS/c1-11(13-4-3-9-20-10-13)21(2)15(22)12-5-7-14(8-6-12)23-16(17,18)19/h3-11H,1-2H3
InChIKeyVXXBZOYKETXZQW-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95191352
4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 56702604
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
CID 124614857
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71906399
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
(E)-4-(dimethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)but-2-enamide
CID 146076991

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 60597744) is N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide is CC(c1cccnc1)N(C)C(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is VXXBZOYKETXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-11(13-4-3-9-20-10-13)21(2)15(22)12-5-7-14(8-6-12)23-16(17,18)19/h3-11H,1-2H3.
What are the key properties of N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 60597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).