2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide

C22H19F3N2O3S — CID 126255214

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S/c1-16-7-5-6-10-20(16)27(31(29,30)19-8-3-2-4-9-19)15-21(28)26-18-13-11-17(12-14-18)22(23,24)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyIEPBCQQQIKXNMR-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.85
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 126255214) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID126255214
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S/c1-16-7-5-6-10-20(16)27(31(29,30)19-8-3-2-4-9-19)15-21(28)26-18-13-11-17(12-14-18)22(23,24)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyIEPBCQQQIKXNMR-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1137059
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
CID 30169165
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880137
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881113
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(4-methoxyphenyl)acetamide
CID 1324420
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 126255214) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IEPBCQQQIKXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c1-16-7-5-6-10-20(16)27(31(29,30)19-8-3-2-4-9-19)15-21(28)26-18-13-11-17(12-14-18)22(23,24)25/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 448.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126255214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).