N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C21H25N3O2S — CID 70782852

IUPACN-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCCCCN(Cc1sccc1C)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C21H25N3O2S/c1-4-5-11-23(13-19-15(2)10-12-27-19)20(25)14-24-21(26)18-9-7-6-8-17(18)16(3)22-24/h6-10,12H,4-5,11,13-14H2,1-3H3
InChIKeyOXURZQOYBBQZEJ-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.90
Rot. Bonds7

About N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 70782852) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID70782852
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCCCCN(Cc1sccc1C)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C21H25N3O2S/c1-4-5-11-23(13-19-15(2)10-12-27-19)20(25)14-24-21(26)18-9-7-6-8-17(18)16(3)22-24/h6-10,12H,4-5,11,13-14H2,1-3H3
InChIKeyOXURZQOYBBQZEJ-UHFFFAOYSA-N
XLogP3.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide 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 N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 70782852) is N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is CCCCN(Cc1sccc1C)C(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is OXURZQOYBBQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-4-5-11-23(13-19-15(2)10-12-27-19)20(25)14-24-21(26)18-9-7-6-8-17(18)16(3)22-24/h6-10,12H,4-5,11,13-14H2,1-3H3.
What are the key properties of N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 70782852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).