2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H21F3N2O3S — CID 1330301

IUPAC2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-17-10-12-18(13-11-17)15-28(32(30,31)21-8-3-2-4-9-21)16-22(29)27-20-7-5-6-19(14-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyGVSOVYMGGIPPIV-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.84
Rot. Bonds7

About 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1330301) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1330301
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-17-10-12-18(13-11-17)15-28(32(30,31)21-8-3-2-4-9-21)16-22(29)27-20-7-5-6-19(14-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyGVSOVYMGGIPPIV-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-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1330301) is 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(CN(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GVSOVYMGGIPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-17-10-12-18(13-11-17)15-28(32(30,31)21-8-3-2-4-9-21)16-22(29)27-20-7-5-6-19(14-20)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(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-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).