N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide

C15H13N3O2S — CID 2396077

IUPACN-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCc1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-7,10H,8-9H2,(H,16,19)
InChIKeyOPWCBBCTBKTILK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide

N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2396077) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2396077
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCc1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-7,10H,8-9H2,(H,16,19)
InChIKeyOPWCBBCTBKTILK-UHFFFAOYSA-N
XLogP2.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2396077) is N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is OPWCBBCTBKTILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-7,10H,8-9H2,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2396077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).