2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide

C24H23BrN4O4S — CID 6086929

IUPAC2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccccc2)cc1
InChIInChI=1S/C24H23BrN4O4S/c1-18(30)27-22-10-12-23(13-11-22)34(32,33)29(16-19-6-3-2-4-7-19)17-24(31)28-26-15-20-8-5-9-21(25)14-20/h2-15H,16-17H2,1H3,(H,27,30)(H,28,31)/b26-15-
InChIKeyFELDRWCGNOEAQN-YSMPRRRNSA-N
MW543.44 g/mol
LogP3.75
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide

2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide (PubChem CID 6086929) has the molecular formula C24H23BrN4O4S and a molecular weight of 543.44 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
PubChem CID6086929
Molecular FormulaC24H23BrN4O4S
Molecular Weight543.44 g/mol
Exact Mass542.06
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccccc2)cc1
InChIInChI=1S/C24H23BrN4O4S/c1-18(30)27-22-10-12-23(13-11-22)34(32,33)29(16-19-6-3-2-4-7-19)17-24(31)28-26-15-20-8-5-9-21(25)14-20/h2-15H,16-17H2,1H3,(H,27,30)(H,28,31)/b26-15-
InChIKeyFELDRWCGNOEAQN-YSMPRRRNSA-N
XLogP3.75
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
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'}

Analyze 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136742007
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 99653384
N-[(E)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126372406
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 98105346
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dichlorophenyl)methylideneamino]acetamide
CID 3682983
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126115890
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137168087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide (CID 6086929) is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Br)c2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide?
The InChIKey is FELDRWCGNOEAQN-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H23BrN4O4S/c1-18(30)27-22-10-12-23(13-11-22)34(32,33)29(16-19-6-3-2-4-7-19)17-24(31)28-26-15-20-8-5-9-21(25)14-20/h2-15H,16-17H2,1H3,(H,27,30)(H,28,31)/b26-15-.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide?
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide has a molecular weight of 543.44 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).