2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

C26H28ClN3O4S — CID 28588884

IUPAC2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28ClN3O4S/c1-5-34-23-11-8-21(9-12-23)20(4)28-29-26(31)17-30(25-15-10-22(27)16-19(25)3)35(32,33)24-13-6-18(2)7-14-24/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-20-
InChIKeyPKUKYFNAEHERLA-RRAHZORUSA-N
MW514.05 g/mol
LogP5.09
Rot. Bonds9

About 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (PubChem CID 28588884) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
PubChem CID28588884
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28ClN3O4S/c1-5-34-23-11-8-21(9-12-23)20(4)28-29-26(31)17-30(25-15-10-22(27)16-19(25)3)35(32,33)24-13-6-18(2)7-14-24/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-20-
InChIKeyPKUKYFNAEHERLA-RRAHZORUSA-N
XLogP5.09
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.05
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30172422
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033241
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126117459
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 28588896
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30216424
N-[4-[(Z)-N-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 126191451
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 92684826
N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (CID 28588884) is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is CCOc1ccc(/C(C)=N\NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is PKUKYFNAEHERLA-RRAHZORUSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-5-34-23-11-8-21(9-12-23)20(4)28-29-26(31)17-30(25-15-10-22(27)16-19(25)3)35(32,33)24-13-6-18(2)7-14-24/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-20-.
What are the key properties of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 514.05 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 28588884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).