N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide

C23H19ClF3N3O4S — CID 126131340

IUPACN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19ClF3N3O4S/c1-15(31)28-16-7-9-17(10-8-16)29-22(32)14-30(35(33,34)19-5-3-2-4-6-19)18-11-12-21(24)20(13-18)23(25,26)27/h2-13H,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyMDYYRUQYBNAAED-UHFFFAOYSA-N
MW525.94 g/mol
LogP5.15
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide (PubChem CID 126131340) has the molecular formula C23H19ClF3N3O4S and a molecular weight of 525.94 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
PubChem CID126131340
Molecular FormulaC23H19ClF3N3O4S
Molecular Weight525.94 g/mol
Exact Mass525.07
IUPAC NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19ClF3N3O4S/c1-15(31)28-16-7-9-17(10-8-16)29-22(32)14-30(35(33,34)19-5-3-2-4-6-19)18-11-12-21(24)20(13-18)23(25,26)27/h2-13H,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyMDYYRUQYBNAAED-UHFFFAOYSA-N
XLogP5.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.94
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]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

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509438
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51343377
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2,3-dimethylphenyl)acetamide
CID 126031181
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343792
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 4319266
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2-phenylphenyl)acetamide
CID 126134173
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1339520
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-pentan-2-yl]acetamide
CID 2206325

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide (CID 126131340) is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is MDYYRUQYBNAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O4S/c1-15(31)28-16-7-9-17(10-8-16)29-22(32)14-30(35(33,34)19-5-3-2-4-6-19)18-11-12-21(24)20(13-18)23(25,26)27/h2-13H,14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide?
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 525.94 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 126131340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).