2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide

C25H27N3O4S — CID 92684826

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-4-32-24-13-9-8-12-23(24)28(33(30,31)22-10-6-5-7-11-22)18-25(29)27-26-20(3)21-16-14-19(2)15-17-21/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-
InChIKeyUGRBLGZYCVISQZ-QOMWVZHYSA-N
MW465.58 g/mol
LogP4.13
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 92684826) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID92684826
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-4-32-24-13-9-8-12-23(24)28(33(30,31)22-10-6-5-7-11-22)18-25(29)27-26-20(3)21-16-14-19(2)15-17-21/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-
InChIKeyUGRBLGZYCVISQZ-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

N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 3594656
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 92684827
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126117459
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 43878696
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28588884
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide (CID 92684826) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide is CCOc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is UGRBLGZYCVISQZ-QOMWVZHYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-32-24-13-9-8-12-23(24)28(33(30,31)22-10-6-5-7-11-22)18-25(29)27-26-20(3)21-16-14-19(2)15-17-21/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-20-.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)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-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 92684826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).