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

C26H28N4O5S — CID 11641980

IUPACN-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2NC(C)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-23-13-15-24(16-14-23)36(33,34)30(22-11-9-19(2)10-12-22)18-26(32)29-27-17-21-7-5-6-8-25(21)28-20(3)31/h5-17H,4,18H2,1-3H3,(H,28,31)(H,29,32)/b27-17+
InChIKeyFVIYLUNZAQJQQY-WPWMEQJKSA-N
MW508.60 g/mol
LogP3.70
Rot. Bonds10

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

N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 11641980) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID11641980
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC NameN-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2NC(C)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N4O5S/c1-4-35-23-13-15-24(16-14-23)36(33,34)30(22-11-9-19(2)10-12-22)18-26(32)29-27-17-21-7-5-6-8-25(21)28-20(3)31/h5-17H,4,18H2,1-3H3,(H,28,31)(H,29,32)/b27-17+
InChIKeyFVIYLUNZAQJQQY-WPWMEQJKSA-N
XLogP3.70
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 11641980) is N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2NC(C)=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is FVIYLUNZAQJQQY-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-4-35-23-13-15-24(16-14-23)36(33,34)30(22-11-9-19(2)10-12-22)18-26(32)29-27-17-21-7-5-6-8-25(21)28-20(3)31/h5-17H,4,18H2,1-3H3,(H,28,31)(H,29,32)/b27-17+.
What are the key properties of N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 508.60 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-acetamidophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 11641980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).