2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide

C25H28N2O4S — CID 2671816

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19-12-11-13-20(5-2)25(19)26-24(28)18-27(22-16-9-10-17-23(22)31-3)32(29,30)21-14-7-6-8-15-21/h6-17H,4-5,18H2,1-3H3,(H,26,28)
InChIKeyCYESYEXVQLJYFX-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.65
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide (PubChem CID 2671816) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
PubChem CID2671816
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19-12-11-13-20(5-2)25(19)26-24(28)18-27(22-16-9-10-17-23(22)31-3)32(29,30)21-14-7-6-8-15-21/h6-17H,4-5,18H2,1-3H3,(H,26,28)
InChIKeyCYESYEXVQLJYFX-UHFFFAOYSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126115910
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide (CID 2671816) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is CYESYEXVQLJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-19-12-11-13-20(5-2)25(19)26-24(28)18-27(22-16-9-10-17-23(22)31-3)32(29,30)21-14-7-6-8-15-21/h6-17H,4-5,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 2671816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).