N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide

C20H18N4O3S2 — CID 23632060

IUPACN'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCOc1ccc2nc(-c3cccs3)nc(NNS(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H18N4O3S2/c1-13-5-8-15(9-6-13)29(25,26)24-23-19-16-12-14(27-2)7-10-17(16)21-20(22-19)18-4-3-11-28-18/h3-12,24H,1-2H3,(H,21,22,23)
InChIKeyFNWNYVAZPFXFRY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.98
Rot. Bonds6

About N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide

N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide (PubChem CID 23632060) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
PubChem CID23632060
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCOc1ccc2nc(-c3cccs3)nc(NNS(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H18N4O3S2/c1-13-5-8-15(9-6-13)29(25,26)24-23-19-16-12-14(27-2)7-10-17(16)21-20(22-19)18-4-3-11-28-18/h3-12,24H,1-2H3,(H,21,22,23)
InChIKeyFNWNYVAZPFXFRY-UHFFFAOYSA-N
XLogP3.98
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide 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'-(7-methoxyquinazolin-4-yl)-4-methylbenzenesulfonohydrazide
CID 134868785
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946
5-methoxy-2-methyl-3-thiophen-2-yl-1H-indole
CID 53235789
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
4-methoxy-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873604
4-tert-butyl-N-[6-chloro-5-(2-methoxyphenoxy)-2-thiophen-2-ylpyrimidin-4-yl]benzenesulfonamide
CID 19095805
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide (CID 23632060) is N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide is COc1ccc2nc(-c3cccs3)nc(NNS(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
The InChIKey is FNWNYVAZPFXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13-5-8-15(9-6-13)29(25,26)24-23-19-16-12-14(27-2)7-10-17(16)21-20(22-19)18-4-3-11-28-18/h3-12,24H,1-2H3,(H,21,22,23).
What are the key properties of N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide?
N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide has a molecular weight of 426.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-2-thiophen-2-ylquinazolin-4-yl)-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 23632060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).