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

C24H26N4O4S — CID 11626867

IUPACN-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2N)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-3-32-21-12-14-22(15-13-21)33(30,31)28(20-10-8-18(2)9-11-20)17-24(29)27-26-16-19-6-4-5-7-23(19)25/h4-16H,3,17,25H2,1-2H3,(H,27,29)/b26-16+
InChIKeySBZYDBPLQSOQPJ-WGOQTCKBSA-N
MW466.56 g/mol
LogP3.32
Rot. Bonds9

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

N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 11626867) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID11626867
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2N)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-3-32-21-12-14-22(15-13-21)33(30,31)28(20-10-8-18(2)9-11-20)17-24(29)27-26-16-19-6-4-5-7-23(19)25/h4-16H,3,17,25H2,1-2H3,(H,27,29)/b26-16+
InChIKeySBZYDBPLQSOQPJ-WGOQTCKBSA-N
XLogP3.32
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 11626867) is N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2N)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is SBZYDBPLQSOQPJ-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-3-32-21-12-14-22(15-13-21)33(30,31)28(20-10-8-18(2)9-11-20)17-24(29)27-26-16-19-6-4-5-7-23(19)25/h4-16H,3,17,25H2,1-2H3,(H,27,29)/b26-16+.
What are the key properties of N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 466.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-aminophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 11626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).