2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C19H19F3N2O3S — CID 34555167

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)17(25)12-28-16-10-6-4-8-14(16)18(26)23-11-13-7-3-5-9-15(13)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyTZBADOZNMKDVLZ-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.70
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 34555167) 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-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID34555167
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)17(25)12-28-16-10-6-4-8-14(16)18(26)23-11-13-7-3-5-9-15(13)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyTZBADOZNMKDVLZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9074011
2-(1,3-thiazol-4-ylmethylsulfanyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55522659
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9069102
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 34555167) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CN(C)C(=O)CSc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is TZBADOZNMKDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-24(2)17(25)12-28-16-10-6-4-8-14(16)18(26)23-11-13-7-3-5-9-15(13)27-19(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-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 412.43 g/mol, XLogP of 3.70, 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-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 34555167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).