2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C26H30N2O4S — CID 126115910

IUPAC2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-21-11-9-10-20(4)26(21)27-25(29)18-28(23-12-7-8-13-24(23)32-6-2)33(30,31)22-16-14-19(3)15-17-22/h7-17H,5-6,18H2,1-4H3,(H,27,29)
InChIKeyHSZGKQWTCXQSQO-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.10
Rot. Bonds9

About 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 126115910) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID126115910
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-21-11-9-10-20(4)26(21)27-25(29)18-28(23-12-7-8-13-24(23)32-6-2)33(30,31)22-16-14-19(3)15-17-22/h7-17H,5-6,18H2,1-4H3,(H,27,29)
InChIKeyHSZGKQWTCXQSQO-UHFFFAOYSA-N
XLogP5.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 1203950
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126116872
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 126115910) is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is HSZGKQWTCXQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-21-11-9-10-20(4)26(21)27-25(29)18-28(23-12-7-8-13-24(23)32-6-2)33(30,31)22-16-14-19(3)15-17-22/h7-17H,5-6,18H2,1-4H3,(H,27,29).
What are the key properties of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 126115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).