2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C25H25F3N2O7S — CID 126181214

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H25F3N2O7S/c1-34-16-9-11-21(35-2)20(13-16)30(38(32,33)17-10-12-22(36-3)23(14-17)37-4)15-24(31)29-19-8-6-5-7-18(19)25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyWCROBHLPJHSDHO-UHFFFAOYSA-N
MW554.54 g/mol
LogP4.57
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 126181214) has the molecular formula C25H25F3N2O7S and a molecular weight of 554.54 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID126181214
Molecular FormulaC25H25F3N2O7S
Molecular Weight554.54 g/mol
Exact Mass554.13
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H25F3N2O7S/c1-34-16-9-11-21(35-2)20(13-16)30(38(32,33)17-10-12-22(36-3)23(14-17)37-4)15-24(31)29-19-8-6-5-7-18(19)25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyWCROBHLPJHSDHO-UHFFFAOYSA-N
XLogP4.57
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 2942722
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126187415
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 21372862
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
CID 1072216
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2948060
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 53279863
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135699605
N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126188033
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94862246

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 126181214) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCROBHLPJHSDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O7S/c1-34-16-9-11-21(35-2)20(13-16)30(38(32,33)17-10-12-22(36-3)23(14-17)37-4)15-24(31)29-19-8-6-5-7-18(19)25(26,27)28/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 554.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126181214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).