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

C25H28N2O3S — CID 126124965

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3S/c1-5-21-8-6-7-20(4)25(21)26-24(28)17-27(22-13-9-18(2)10-14-22)31(29,30)23-15-11-19(3)12-16-23/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyPIXKEHZIFCHLBF-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.01
Rot. Bonds7

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

N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126124965) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126124965
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O3S/c1-5-21-8-6-7-20(4)25(21)26-24(28)17-27(22-13-9-18(2)10-14-22)31(29,30)23-15-11-19(3)12-16-23/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyPIXKEHZIFCHLBF-UHFFFAOYSA-N
XLogP5.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126116872
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126140617
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126115910
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126154684
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233542
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126124965) is N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is PIXKEHZIFCHLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-5-21-8-6-7-20(4)25(21)26-24(28)17-27(22-13-9-18(2)10-14-22)31(29,30)23-15-11-19(3)12-16-23/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 436.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126124965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).