2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C24H25N3O5S — CID 135475964

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)/b25-16+
InChIKeyBMXMBAWTAZIUJK-PCLIKHOPSA-N
MW467.55 g/mol
LogP3.44
Rot. Bonds9

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135475964) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135475964
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)/b25-16+
InChIKeyBMXMBAWTAZIUJK-PCLIKHOPSA-N
XLogP3.44
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.44
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

N-(4-chlorophenyl)-4-ethoxy-N-{2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
CID 135438560
N-[(2-Methoxyphenyl)methyl]-2-(N-phenyl4-ethoxybenzenesulfonamido)acetamide
CID 1318069
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 5340391
N-(4-Isopropyl-phenyl)-N-[4-(thietan-3-yloxy)-benzylidene-hydrazinocarbonylmethyl]-benzenesulfonamide
CID 5997675
N-{2-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylene)hydrazino]-2-oxoethyl}-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
CID 6876716
4-ethoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl}benzenesulfonamide (non-preferred name)
CID 6896558
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 9594201
N-{3-[(1E)-1-({2-[N-(4-Ethoxyphenyl)benzenesulfonamido]acetamido}imino)ethyl]phenyl}acetamide
CID 9597341
2-[(1,1-Dioxido-1,2-benzisothiazol-3-YL)(phenyl)amino]-N'-[(E)-(2-methoxyphenyl)methylene]acetohydrazide
CID 9672668
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135475964) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is BMXMBAWTAZIUJK-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)/b25-16+.
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135475964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).