2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C19H19F3N2O3S — CID 17469397

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)17(25)11-28-16-6-4-3-5-15(16)18(26)23-13-7-9-14(10-8-13)27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyZFQCUAFZOODSJV-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.06
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 17469397) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID17469397
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)17(25)11-28-16-6-4-3-5-15(16)18(26)23-13-7-9-14(10-8-13)27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyZFQCUAFZOODSJV-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 51289033
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86963602
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(difluoromethoxy)phenyl]benzamide
CID 55332093
2-(2-amino-2-oxoethyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31352349
2-[2-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9324278
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 32945841
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 17469397) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is ZFQCUAFZOODSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-24(2)17(25)11-28-16-6-4-3-5-15(16)18(26)23-13-7-9-14(10-8-13)27-12-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 412.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 17469397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).