N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide

C22H28N2O4S — CID 110517810

IUPACN-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N/NS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C22H28N2O4S/c1-4-5-6-9-14-28-21-11-8-7-10-19(21)20(25)16-23-24-29(26,27)22-13-12-17(2)15-18(22)3/h7-8,10-13,15-16,24H,4-6,9,14H2,1-3H3/b23-16+
InChIKeyAIBPGHNYNCSHIV-XQNSMLJCSA-N
MW416.54 g/mol
LogP4.41
Rot. Bonds11

About N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide

N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide (PubChem CID 110517810) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
PubChem CID110517810
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N/NS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C22H28N2O4S/c1-4-5-6-9-14-28-21-11-8-7-10-19(21)20(25)16-23-24-29(26,27)22-13-12-17(2)15-18(22)3/h7-8,10-13,15-16,24H,4-6,9,14H2,1-3H3/b23-16+
InChIKeyAIBPGHNYNCSHIV-XQNSMLJCSA-N
XLogP4.41
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide 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-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517992
(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
CID 110505608
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
CID 110515291
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
CID 110510129
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522844
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide
CID 4947294
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
CID 16645091
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
ethyl 2-[4-[3-(2-hexoxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 142722211

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide (CID 110517810) is N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide is CCCCCCOc1ccccc1C(=O)/C=N/NS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is AIBPGHNYNCSHIV-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-5-6-9-14-28-21-11-8-7-10-19(21)20(25)16-23-24-29(26,27)22-13-12-17(2)15-18(22)3/h7-8,10-13,15-16,24H,4-6,9,14H2,1-3H3/b23-16+.
What are the key properties of N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide?
N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).