N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide

C12H14F3NOS — CID 138977216

IUPACN-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide
SMILESCC(CN(C)C(=O)c1ccccc1)SC(F)(F)F
InChIInChI=1S/C12H14F3NOS/c1-9(18-12(13,14)15)8-16(2)11(17)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGUZMTSXUQSANSY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.40
Rot. Bonds4

About N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide

N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide (PubChem CID 138977216) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide
PubChem CID138977216
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC NameN-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide
SMILESCC(CN(C)C(=O)c1ccccc1)SC(F)(F)F
InChIInChI=1S/C12H14F3NOS/c1-9(18-12(13,14)15)8-16(2)11(17)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGUZMTSXUQSANSY-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N-Dimethylbenzamide
CID 11916
N,N-Diethyl-p-toluamide
CID 75946
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N,N-Dibutylbenzamide
CID 32774
N,N-Dimethyl-p-trifluorobenzamide
CID 141240
N-(6-Mercapto-hexyl)-benzamide
CID 11447748
N-propyl-3-(trifluoromethyl)benzenecarboxamide
CID 2767296
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide?
The IUPAC name of N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide (CID 138977216) is N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide?
The canonical SMILES for N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide is CC(CN(C)C(=O)c1ccccc1)SC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide?
The InChIKey is GUZMTSXUQSANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-9(18-12(13,14)15)8-16(2)11(17)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide?
N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide has a molecular weight of 277.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethylsulfanyl)propyl]benzamide is sourced from PubChem (CID 138977216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).