N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide

C26H28N4O5S — CID 22307419

IUPACN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide
SMILESCCOc1c(NCC(=O)N/N=C(/C)c2ccc(NC(C)=O)cc2)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-26-23(11-8-12-24(26)36(33,34)22-9-6-5-7-10-22)27-17-25(32)30-29-18(2)20-13-15-21(16-14-20)28-19(3)31/h5-16,27H,4,17H2,1-3H3,(H,28,31)(H,30,32)/b29-18-
InChIKeyIXBZQMPLWARYAF-MIXAMLLLSA-N
MW508.60 g/mol
LogP3.83
Rot. Bonds10

About N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide

N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide (PubChem CID 22307419) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide
PubChem CID22307419
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide
SMILESCCOc1c(NCC(=O)N/N=C(/C)c2ccc(NC(C)=O)cc2)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-26-23(11-8-12-24(26)36(33,34)22-9-6-5-7-10-22)27-17-25(32)30-29-18(2)20-13-15-21(16-14-20)28-19(3)31/h5-16,27H,4,17H2,1-3H3,(H,28,31)(H,30,32)/b29-18-
InChIKeyIXBZQMPLWARYAF-MIXAMLLLSA-N
XLogP3.83
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 3594656
2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
CID 22304312
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
CID 22304964
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 22304144
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide (CID 22307419) is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The canonical SMILES for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide is CCOc1c(NCC(=O)N/N=C(/C)c2ccc(NC(C)=O)cc2)cccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
The InChIKey is IXBZQMPLWARYAF-MIXAMLLLSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-4-35-26-23(11-8-12-24(26)36(33,34)22-9-6-5-7-10-22)27-17-25(32)30-29-18(2)20-13-15-21(16-14-20)28-19(3)31/h5-16,27H,4,17H2,1-3H3,(H,28,31)(H,30,32)/b29-18-.
What are the key properties of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide?
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide has a molecular weight of 508.60 g/mol, XLogP of 3.83, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide is sourced from PubChem (CID 22307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).