2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

C24H24BrN3O4S — CID 126035497

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O4S/c1-3-18-9-12-21(13-10-18)28(33(30,31)22-7-5-4-6-8-22)17-24(29)27-26-16-19-15-20(25)11-14-23(19)32-2/h4-16H,3,17H2,1-2H3,(H,27,29)/b26-16-
InChIKeyVECHYEZZMWGSJM-QQXSKIMKSA-N
MW530.44 g/mol
LogP4.37
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 126035497) has the molecular formula C24H24BrN3O4S and a molecular weight of 530.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID126035497
Molecular FormulaC24H24BrN3O4S
Molecular Weight530.44 g/mol
Exact Mass529.07
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O4S/c1-3-18-9-12-21(13-10-18)28(33(30,31)22-7-5-4-6-8-22)17-24(29)27-26-16-19-15-20(25)11-14-23(19)32-2/h4-16H,3,17H2,1-2H3,(H,27,29)/b26-16-
InChIKeyVECHYEZZMWGSJM-QQXSKIMKSA-N
XLogP4.37
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.44
LogP ≤ 54.37
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-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6896418
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091439
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 3857558
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126032264
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 92534259
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 126035335
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126125104
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 126033196
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126121836
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 126032877

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (CID 126035497) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is CCc1ccc(N(CC(=O)N/N=C\c2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VECHYEZZMWGSJM-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H24BrN3O4S/c1-3-18-9-12-21(13-10-18)28(33(30,31)22-7-5-4-6-8-22)17-24(29)27-26-16-19-15-20(25)11-14-23(19)32-2/h4-16H,3,17H2,1-2H3,(H,27,29)/b26-16-.
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 530.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126035497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).