2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide

C19H19F3N2O2S — CID 51289033

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2S/c1-12-8-9-13(10-15(12)19(20,21)22)23-18(26)14-6-4-5-7-16(14)27-11-17(25)24(2)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQQUSSTGCHGYPKN-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.45
Rot. Bonds5

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 51289033) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID51289033
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2S/c1-12-8-9-13(10-15(12)19(20,21)22)23-18(26)14-6-4-5-7-16(14)27-11-17(25)24(2)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQQUSSTGCHGYPKN-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 92614894
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
CID 43016105
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9062263
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 51289033) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QQUSSTGCHGYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-12-8-9-13(10-15(12)19(20,21)22)23-18(26)14-6-4-5-7-16(14)27-11-17(25)24(2)3/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 396.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 51289033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).