N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C19H20F3NOS — CID 22066223

IUPACN-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NOS/c1-18(2,12-25-3)23-17(24)16-7-5-4-6-15(16)13-8-10-14(11-9-13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyIJPWXEFCKQQNEC-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.24
Rot. Bonds5

About N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 22066223) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID22066223
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NOS/c1-18(2,12-25-3)23-17(24)16-7-5-4-6-15(16)13-8-10-14(11-9-13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyIJPWXEFCKQQNEC-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 22066223) is N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is CSCC(C)(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IJPWXEFCKQQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-18(2,12-25-3)23-17(24)16-7-5-4-6-15(16)13-8-10-14(11-9-13)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 367.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22066223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).