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

C26H28N4O5S — CID 3594656

IUPACN-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-25-13-9-8-12-24(25)30(36(33,34)23-10-6-5-7-11-23)18-26(32)29-28-19(2)21-14-16-22(17-15-21)27-20(3)31/h5-17H,4,18H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyFKBWPLKIOKIVFJ-UHFFFAOYSA-N
MW508.60 g/mol
LogP3.78
Rot. Bonds10

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

N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide (PubChem CID 3594656) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
PubChem CID3594656
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-25-13-9-8-12-24(25)30(36(33,34)23-10-6-5-7-11-23)18-26(32)29-28-19(2)21-14-16-22(17-15-21)27-20(3)31/h5-17H,4,18H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyFKBWPLKIOKIVFJ-UHFFFAOYSA-N
XLogP3.78
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methylphenyl)ethylideneamino]acetamide
CID 92684826
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
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
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-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92684823
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide (CID 3594656) is N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide is CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The InChIKey is FKBWPLKIOKIVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-4-35-25-13-9-8-12-24(25)30(36(33,34)23-10-6-5-7-11-23)18-26(32)29-28-19(2)21-14-16-22(17-15-21)27-20(3)31/h5-17H,4,18H2,1-3H3,(H,27,31)(H,29,32).
What are the key properties of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide has a molecular weight of 508.60 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide is sourced from PubChem (CID 3594656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).