2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide

C26H21F3N2O3S — CID 22304717

IUPAC2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2c(NCC(=O)Nc3ccc4ccccc4c3)cccc2C(F)(F)F)cc1
InChIInChI=1S/C26H21F3N2O3S/c1-17-9-13-21(14-10-17)35(33,34)25-22(26(27,28)29)7-4-8-23(25)30-16-24(32)31-20-12-11-18-5-2-3-6-19(18)15-20/h2-15,30H,16H2,1H3,(H,31,32)
InChIKeyFBXPSWCLCBFVHO-UHFFFAOYSA-N
MW498.53 g/mol
LogP6.05
Rot. Bonds6

About 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide

2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide (PubChem CID 22304717) has the molecular formula C26H21F3N2O3S and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
PubChem CID22304717
Molecular FormulaC26H21F3N2O3S
Molecular Weight498.53 g/mol
Exact Mass498.12
IUPAC Name2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)c2c(NCC(=O)Nc3ccc4ccccc4c3)cccc2C(F)(F)F)cc1
InChIInChI=1S/C26H21F3N2O3S/c1-17-9-13-21(14-10-17)35(33,34)25-22(26(27,28)29)7-4-8-23(25)30-16-24(32)31-20-12-11-18-5-2-3-6-19(18)15-20/h2-15,30H,16H2,1H3,(H,31,32)
InChIKeyFBXPSWCLCBFVHO-UHFFFAOYSA-N
XLogP6.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
CID 20850362
2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 22304874
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 20850358
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375647
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
N-naphthalen-2-yl-2-(2-propan-2-yloxyanilino)acetamide
CID 54831213
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide (CID 22304717) is 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide is Cc1ccc(S(=O)(=O)c2c(NCC(=O)Nc3ccc4ccccc4c3)cccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide?
The InChIKey is FBXPSWCLCBFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3S/c1-17-9-13-21(14-10-17)35(33,34)25-22(26(27,28)29)7-4-8-23(25)30-16-24(32)31-20-12-11-18-5-2-3-6-19(18)15-20/h2-15,30H,16H2,1H3,(H,31,32).
What are the key properties of 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide?
2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide has a molecular weight of 498.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 22304717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).