2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

C11H15N3O3S — CID 67239359

IUPAC2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESCS(=O)(=O)c1nc2c(c(CC(N)=O)n1)CCCC2
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)11-13-8-5-3-2-4-7(8)9(14-11)6-10(12)15/h2-6H2,1H3,(H2,12,15)
InChIKeyVARJVSVWNVMWHR-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.21
Rot. Bonds3

About 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide

2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (PubChem CID 67239359) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
PubChem CID67239359
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
SMILESCS(=O)(=O)c1nc2c(c(CC(N)=O)n1)CCCC2
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)11-13-8-5-3-2-4-7(8)9(14-11)6-10(12)15/h2-6H2,1H3,(H2,12,15)
InChIKeyVARJVSVWNVMWHR-UHFFFAOYSA-N
XLogP-0.21
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)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 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The IUPAC name of 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide (CID 67239359) is 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The canonical SMILES for 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is CS(=O)(=O)c1nc2c(c(CC(N)=O)n1)CCCC2.
What is the InChIKey of 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
The InChIKey is VARJVSVWNVMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18(16,17)11-13-8-5-3-2-4-7(8)9(14-11)6-10(12)15/h2-6H2,1H3,(H2,12,15).
What are the key properties of 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide?
2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide has a molecular weight of 269.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-yl)acetamide is sourced from PubChem (CID 67239359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).