2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C19H23N3O5S — CID 135648190

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-16-11-9-15(10-12-16)22(28(3,25)26)13-19(24)21-20-14(2)17-7-5-6-8-18(17)23/h5-12,23H,4,13H2,1-3H3,(H,21,24)/b20-14+
InChIKeyQTLLRHZDUWCJJH-XSFVSMFZSA-N
MW405.48 g/mol
LogP2.10
Rot. Bonds8

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135648190) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135648190
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-27-16-11-9-15(10-12-16)22(28(3,25)26)13-19(24)21-20-14(2)17-7-5-6-8-18(17)23/h5-12,23H,4,13H2,1-3H3,(H,21,24)/b20-14+
InChIKeyQTLLRHZDUWCJJH-XSFVSMFZSA-N
XLogP2.10
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137077858
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 3111592
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076398
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 135648190) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is QTLLRHZDUWCJJH-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-27-16-11-9-15(10-12-16)22(28(3,25)26)13-19(24)21-20-14(2)17-7-5-6-8-18(17)23/h5-12,23H,4,13H2,1-3H3,(H,21,24)/b20-14+.
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135648190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).