2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C26H26ClF3N2O3S — CID 43893227

IUPAC2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C26H26ClF3N2O3S/c1-4-24(21-12-10-17(2)14-18(21)3)31-25(33)16-32(36(34,35)20-8-6-5-7-9-20)19-11-13-23(27)22(15-19)26(28,29)30/h5-15,24H,4,16H2,1-3H3,(H,31,33)
InChIKeyXUPDWXUYZNGJOX-UHFFFAOYSA-N
MW539.02 g/mol
LogP6.44
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 43893227) has the molecular formula C26H26ClF3N2O3S and a molecular weight of 539.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID43893227
Molecular FormulaC26H26ClF3N2O3S
Molecular Weight539.02 g/mol
Exact Mass538.13
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C26H26ClF3N2O3S/c1-4-24(21-12-10-17(2)14-18(21)3)31-25(33)16-32(36(34,35)20-8-6-5-7-9-20)19-11-13-23(27)22(15-19)26(28,29)30/h5-15,24H,4,16H2,1-3H3,(H,31,33)
InChIKeyXUPDWXUYZNGJOX-UHFFFAOYSA-N
XLogP6.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.02
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43893229
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 4319266
N-[1-(2,4-dimethylphenyl)propyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43894438
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-pentan-2-yl]acetamide
CID 2206325
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43899165
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902138
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100560403
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100560413
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902134
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30173099
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43893209
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43897993

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 43893227) is 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is XUPDWXUYZNGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O3S/c1-4-24(21-12-10-17(2)14-18(21)3)31-25(33)16-32(36(34,35)20-8-6-5-7-9-20)19-11-13-23(27)22(15-19)26(28,29)30/h5-15,24H,4,16H2,1-3H3,(H,31,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 539.02 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 43893227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).