2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C29H27F3N2O3S — CID 43892647

IUPAC2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C29H27F3N2O3S/c1-21(17-23-11-7-10-22-9-5-6-16-27(22)23)19-33-28(35)20-34(38(36,37)26-14-3-2-4-15-26)25-13-8-12-24(18-25)29(30,31)32/h2-16,18,21H,17,19-20H2,1H3,(H,33,35)
InChIKeyNUXQHCLZIVSZNQ-UHFFFAOYSA-N
MW540.61 g/mol
LogP6.05
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43892647) has the molecular formula C29H27F3N2O3S and a molecular weight of 540.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43892647
Molecular FormulaC29H27F3N2O3S
Molecular Weight540.61 g/mol
Exact Mass540.17
IUPAC Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C29H27F3N2O3S/c1-21(17-23-11-7-10-22-9-5-6-16-27(22)23)19-33-28(35)20-34(38(36,37)26-14-3-2-4-15-26)25-13-8-12-24(18-25)29(30,31)32/h2-16,18,21H,17,19-20H2,1H3,(H,33,35)
InChIKeyNUXQHCLZIVSZNQ-UHFFFAOYSA-N
XLogP6.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892752
N-[(2-methylphenyl)methyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1339113
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892591
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895020
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43899207
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126149658
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895321
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43892636
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43898348
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-benzylsulfanylethyl)acetamide
CID 3285533

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43892647) is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is CC(CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is NUXQHCLZIVSZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N2O3S/c1-21(17-23-11-7-10-22-9-5-6-16-27(22)23)19-33-28(35)20-34(38(36,37)26-14-3-2-4-15-26)25-13-8-12-24(18-25)29(30,31)32/h2-16,18,21H,17,19-20H2,1H3,(H,33,35).
What are the key properties of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 540.61 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43892647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).