2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C25H27N3O5S — CID 135446641

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(31,32)28(20-11-9-18(2)10-12-20)17-25(30)27-26-19(3)23-7-5-6-8-24(23)29/h5-16,29H,4,17H2,1-3H3,(H,27,30)/b26-19+
InChIKeyXKXUZDGUQKONAV-LGUFXXKBSA-N
MW481.57 g/mol
LogP3.84
Rot. Bonds9

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135446641) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135446641
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(31,32)28(20-11-9-18(2)10-12-20)17-25(30)27-26-19(3)23-7-5-6-8-24(23)29/h5-16,29H,4,17H2,1-3H3,(H,27,30)/b26-19+
InChIKeyXKXUZDGUQKONAV-LGUFXXKBSA-N
XLogP3.84
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.84
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

4-(3-(4-Phenyl ethyl oxygen)-5-(2-hydroxyphenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4c)
CID 118796658
N-(4-chlorophenyl)-4-ethoxy-N-{2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
CID 135438560
4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
CID 135475964
N-[(2-Methoxyphenyl)methyl]-2-(N-phenyl4-ethoxybenzenesulfonamido)acetamide
CID 1318069
N-(4-Isopropyl-phenyl)-N-[4-(thietan-3-yloxy)-benzylidene-hydrazinocarbonylmethyl]-benzenesulfonamide
CID 5997675
N-{3-[(1E)-1-({2-[N-(4-Ethoxyphenyl)benzenesulfonamido]acetamido}imino)ethyl]phenyl}acetamide
CID 9597341
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
N-(2-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (non-preferred name)
CID 135614387
2-(N-(3-chlorophenyl)phenylsulfonamido)-N''-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
CID 135644174
4-ethoxy-N-(4-methylphenyl)-N-{2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
CID 1035832

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 135446641) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is XKXUZDGUQKONAV-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-4-33-21-13-15-22(16-14-21)34(31,32)28(20-11-9-18(2)10-12-20)17-25(30)27-26-19(3)23-7-5-6-8-24(23)29/h5-16,29H,4,17H2,1-3H3,(H,27,30)/b26-19+.
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 481.57 g/mol, XLogP of 3.84, 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)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135446641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).