N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

C21H17N3O3S — CID 644437

IUPACN-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C21H17N3O3S/c25-19(22-13-16-9-6-12-27-16)14-28-21-23-18-11-5-4-10-17(18)20(26)24(21)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25)
InChIKeyIRUDVBUNHMGDPT-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.39
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 644437) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID644437
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C21H17N3O3S/c25-19(22-13-16-9-6-12-27-16)14-28-21-23-18-11-5-4-10-17(18)20(26)24(21)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25)
InChIKeyIRUDVBUNHMGDPT-UHFFFAOYSA-N
XLogP3.39
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-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 N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (CID 644437) is N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is IRUDVBUNHMGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-19(22-13-16-9-6-12-27-16)14-28-21-23-18-11-5-4-10-17(18)20(26)24(21)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 391.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 644437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).