2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

C25H27N3O4S — CID 28589215

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-32-22-16-14-21(15-17-22)20(3)26-27-25(29)18-28(24-13-9-8-10-19(24)2)33(30,31)23-11-6-5-7-12-23/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-
InChIKeyLHUVEGDKPPUUSM-QOMWVZHYSA-N
MW465.58 g/mol
LogP4.13
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (PubChem CID 28589215) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
PubChem CID28589215
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-32-22-16-14-21(15-17-22)20(3)26-27-25(29)18-28(24-13-9-8-10-19(24)2)33(30,31)23-11-6-5-7-12-23/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-
InChIKeyLHUVEGDKPPUUSM-QOMWVZHYSA-N
XLogP4.13
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 92684827
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 92684826
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28588884
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 3594656
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126117459
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6367634
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (CID 28589215) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is CCOc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is LHUVEGDKPPUUSM-QOMWVZHYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-32-22-16-14-21(15-17-22)20(3)26-27-25(29)18-28(24-13-9-8-10-19(24)2)33(30,31)23-11-6-5-7-12-23/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 465.58 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 28589215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).