N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C16H12F6N2OS — CID 72944632

IUPACN-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C(=O)c1ccccc1SCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F6N2OS/c1-24(13-7-6-10(8-23-13)16(20,21)22)14(25)11-4-2-3-5-12(11)26-9-15(17,18)19/h2-8H,9H2,1H3
InChIKeyRWEQLVHHTWPKQJ-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.03
Rot. Bonds4

About N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 72944632) has the molecular formula C16H12F6N2OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID72944632
Molecular FormulaC16H12F6N2OS
Molecular Weight394.34 g/mol
Exact Mass394.06
IUPAC NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCN(C(=O)c1ccccc1SCC(F)(F)F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F6N2OS/c1-24(13-7-6-10(8-23-13)16(20,21)22)14(25)11-4-2-3-5-12(11)26-9-15(17,18)19/h2-8H,9H2,1H3
InChIKeyRWEQLVHHTWPKQJ-UHFFFAOYSA-N
XLogP5.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 118216707
2-(2,2,2-trifluoroethylsulfanyl)benzoic acid
CID 16788843
2-ethylsulfanyl-N-prop-2-ynyl-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72944841
1-(2-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802341
2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 118035681
3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118113343
(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
2-ethylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 162564794
N-methyl-N-(2-methylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134005894
N-methyl-N-[(E)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 147524981
N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 172957398

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 72944632) is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is CN(C(=O)c1ccccc1SCC(F)(F)F)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is RWEQLVHHTWPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2OS/c1-24(13-7-6-10(8-23-13)16(20,21)22)14(25)11-4-2-3-5-12(11)26-9-15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 394.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 72944632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).