N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide

C25H26N4O4S — CID 1278302

IUPACN-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H26N4O4S/c1-18(21-13-15-22(16-14-21)26-19(2)30)27-28-25(31)23-11-7-8-12-24(23)29(34(3,32)33)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyZNQCCRZGCFIUSJ-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.77
Rot. Bonds8

About N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide

N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide (PubChem CID 1278302) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
PubChem CID1278302
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
SMILESCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H26N4O4S/c1-18(21-13-15-22(16-14-21)26-19(2)30)27-28-25(31)23-11-7-8-12-24(23)29(34(3,32)33)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyZNQCCRZGCFIUSJ-UHFFFAOYSA-N
XLogP3.77
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.77
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 N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide 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

N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 6103783
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 27868265
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]benzamide
CID 43879006
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 98050753
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878893
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide (CID 1278302) is N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide is CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
The InChIKey is ZNQCCRZGCFIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-18(21-13-15-22(16-14-21)26-19(2)30)27-28-25(31)23-11-7-8-12-24(23)29(34(3,32)33)17-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,30)(H,28,31).
What are the key properties of N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide?
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide has a molecular weight of 478.57 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1278302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).