4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide

C18H17F3N2O2S — CID 167778502

IUPAC4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide
SMILESCN(C(=O)CCSc1ccc(C(F)(F)F)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-23(14-6-2-12(3-7-14)17(22)25)16(24)10-11-26-15-8-4-13(5-9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H2,22,25)
InChIKeyVTHASUYLVXRIBG-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.95
Rot. Bonds6

About 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide

4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide (PubChem CID 167778502) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide
PubChem CID167778502
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide
SMILESCN(C(=O)CCSc1ccc(C(F)(F)F)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-23(14-6-2-12(3-7-14)17(22)25)16(24)10-11-26-15-8-4-13(5-9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H2,22,25)
InChIKeyVTHASUYLVXRIBG-UHFFFAOYSA-N
XLogP3.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide (CID 167778502) is 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide is CN(C(=O)CCSc1ccc(C(F)(F)F)cc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide?
The InChIKey is VTHASUYLVXRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-23(14-6-2-12(3-7-14)17(22)25)16(24)10-11-26-15-8-4-13(5-9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H2,22,25).
What are the key properties of 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide?
4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide has a molecular weight of 382.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 167778502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).