4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide

C10H10F3NOS — CID 78791752

IUPAC4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyCXTYREMZIVVJJC-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.70
Rot. Bonds3

About 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide

4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78791752) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78791752
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyCXTYREMZIVVJJC-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)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

ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-one
CID 18183658
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 87391037
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
CID 78892562
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78791752) is 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide is CSc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CXTYREMZIVVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-16-8-4-2-7(3-5-8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 249.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78791752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).