2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C23H21F3N2O3S — CID 126093141

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-17-7-13-21(14-8-17)32(30,31)28(15-18-5-3-2-4-6-18)16-22(29)27-20-11-9-19(10-12-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyWTZCCEZLLOQUCC-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.84
Rot. Bonds7

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 126093141) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID126093141
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-17-7-13-21(14-8-17)32(30,31)28(15-18-5-3-2-4-6-18)16-22(29)27-20-11-9-19(10-12-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyWTZCCEZLLOQUCC-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126095136
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100515151
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126087455

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 126093141) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WTZCCEZLLOQUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-17-7-13-21(14-8-17)32(30,31)28(15-18-5-3-2-4-6-18)16-22(29)27-20-11-9-19(10-12-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 462.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126093141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).