2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide

C20H23N3OS — CID 3221498

IUPAC2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24)
InChIKeyKMSWDYZTQYLDLG-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.67
Rot. Bonds4

About 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide

2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 3221498) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID3221498
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24)
InChIKeyKMSWDYZTQYLDLG-UHFFFAOYSA-N
XLogP3.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide 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-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide (CID 3221498) is 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide is NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12.
What is the InChIKey of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is KMSWDYZTQYLDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c21-17(24)11-25-18-15-3-1-2-4-16(15)22-19(23-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,24).
What are the key properties of 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide?
2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 353.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 3221498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).