2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide

C23H26N4O6S — CID 142765322

IUPAC2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide
SMILESCOc1c(-c2ccccc2C(=O)N(N)S(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C23H26N4O6S/c1-23(2,3)18-13-14(26-11-10-19(28)25-22(26)30)12-17(20(18)33-4)15-8-6-7-9-16(15)21(29)27(24)34(5,31)32/h6-13H,24H2,1-5H3,(H,25,28,30)
InChIKeyRUHGHIUDIZYRAV-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.77
Rot. Bonds5

About 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide

2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide (PubChem CID 142765322) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide
PubChem CID142765322
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide
SMILESCOc1c(-c2ccccc2C(=O)N(N)S(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C23H26N4O6S/c1-23(2,3)18-13-14(26-11-10-19(28)25-22(26)30)12-17(20(18)33-4)15-8-6-7-9-16(15)21(29)27(24)34(5,31)32/h6-13H,24H2,1-5H3,(H,25,28,30)
InChIKeyRUHGHIUDIZYRAV-UHFFFAOYSA-N
XLogP1.77
TPSA144.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide?
The IUPAC name of 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide (CID 142765322) is 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide.
What is the SMILES notation for 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide?
The canonical SMILES for 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide is COc1c(-c2ccccc2C(=O)N(N)S(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide?
The InChIKey is RUHGHIUDIZYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-23(2,3)18-13-14(26-11-10-19(28)25-22(26)30)12-17(20(18)33-4)15-8-6-7-9-16(15)21(29)27(24)34(5,31)32/h6-13H,24H2,1-5H3,(H,25,28,30).
What are the key properties of 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide?
2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide has a molecular weight of 486.55 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]-N-methylsulfonylbenzohydrazide is sourced from PubChem (CID 142765322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).