N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide

C17H17F3N2O3S2 — CID 39908102

IUPACN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CSC(F)(F)F)ccc2C)c1
InChIInChI=1S/C17H17F3N2O3S2/c1-11-4-3-5-14(8-11)22-27(24,25)15-9-13(7-6-12(15)2)21-16(23)10-26-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyLVYRSLFZCGCMMI-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.30
Rot. Bonds6

About N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 39908102) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID39908102
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CSC(F)(F)F)ccc2C)c1
InChIInChI=1S/C17H17F3N2O3S2/c1-11-4-3-5-14(8-11)22-27(24,25)15-9-13(7-6-12(15)2)21-16(23)10-26-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyLVYRSLFZCGCMMI-UHFFFAOYSA-N
XLogP4.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide 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

4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 30489963
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
4-acetyl-3,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 35865008
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 39908102) is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CSC(F)(F)F)ccc2C)c1.
What is the InChIKey of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is LVYRSLFZCGCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c1-11-4-3-5-14(8-11)22-27(24,25)15-9-13(7-6-12(15)2)21-16(23)10-26-17(18,19)20/h3-9,22H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 418.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 39908102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).