N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide

C18H17F3N2O2S — CID 55668082

IUPACN-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CSC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-6-8-13(9-7-12)10-22-17(25)14-4-2-3-5-15(14)23-16(24)11-26-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyTTZKQXQEJKDRKS-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide (PubChem CID 55668082) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
PubChem CID55668082
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CSC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-6-8-13(9-7-12)10-22-17(25)14-4-2-3-5-15(14)23-16(24)11-26-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyTTZKQXQEJKDRKS-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 27918418
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 8010305
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 16518695
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide (CID 55668082) is N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSC(F)(F)F)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The InChIKey is TTZKQXQEJKDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-12-6-8-13(9-7-12)10-22-17(25)14-4-2-3-5-15(14)23-16(24)11-26-18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide has a molecular weight of 382.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 55668082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).