[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

C20H24N2O5S — CID 24981950

IUPAC[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)17-11-7-8-15(3)20(17)22-18(23)13-27-19(24)12-21-28(25,26)16-9-5-4-6-10-16/h4-11,14,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyGDPOJKQUHHYFCY-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.58
Rot. Bonds8

About [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (PubChem CID 24981950) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
PubChem CID24981950
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCc1cccc(C(C)C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)17-11-7-8-15(3)20(17)22-18(23)13-27-19(24)12-21-28(25,26)16-9-5-4-6-10-16/h4-11,14,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyGDPOJKQUHHYFCY-UHFFFAOYSA-N
XLogP2.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(4-Cyanoanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2077902
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2549829
Ethyl 2-(N-benzyl4-acetamidobenzenesulfonamido)acetate
CID 3239570
[2-(Cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4305442
[2-(1-Adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 5032977
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6215997
[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6217722

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (CID 24981950) is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is Cc1cccc(C(C)C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is GDPOJKQUHHYFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)17-11-7-8-15(3)20(17)22-18(23)13-27-19(24)12-21-28(25,26)16-9-5-4-6-10-16/h4-11,14,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 404.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 24981950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).