N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide

C19H19F3N2O3S — CID 32523241

IUPACN,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)18(26)14-5-7-15(8-6-14)23-17(25)12-28-11-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyKLVHOHQRRRXEHM-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.16
Rot. Bonds7

About N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide (PubChem CID 32523241) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
PubChem CID32523241
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-24(2)18(26)14-5-7-15(8-6-14)23-17(25)12-28-11-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyKLVHOHQRRRXEHM-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773366
2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 989309
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31543343
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide (CID 32523241) is N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is KLVHOHQRRRXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-24(2)18(26)14-5-7-15(8-6-14)23-17(25)12-28-11-13-3-9-16(10-4-13)27-19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 412.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 32523241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).