2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide

C24H24N4O6S — CID 43878696

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N4O6S/c1-3-34-23-15-8-7-14-22(23)27(35(32,33)21-12-5-4-6-13-21)17-24(29)26-25-18(2)19-10-9-11-20(16-19)28(30)31/h4-16H,3,17H2,1-2H3,(H,26,29)/b25-18+
InChIKeyLTFCUDKJEIZAFE-XIEYBQDHSA-N
MW496.55 g/mol
LogP3.73
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 43878696) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID43878696
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N4O6S/c1-3-34-23-15-8-7-14-22(23)27(35(32,33)21-12-5-4-6-13-21)17-24(29)26-25-18(2)19-10-9-11-20(16-19)28(30)31/h4-16H,3,17H2,1-2H3,(H,26,29)/b25-18+
InChIKeyLTFCUDKJEIZAFE-XIEYBQDHSA-N
XLogP3.73
TPSA131.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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
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-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 126136226
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126117459
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-ethoxyphenyl)acetamide
CID 1016308
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137077728
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide (CID 43878696) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide is CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is LTFCUDKJEIZAFE-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-3-34-23-15-8-7-14-22(23)27(35(32,33)21-12-5-4-6-13-21)17-24(29)26-25-18(2)19-10-9-11-20(16-19)28(30)31/h4-16H,3,17H2,1-2H3,(H,26,29)/b25-18+.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 496.55 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 43878696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).