2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C19H21N3O2S — CID 654174

IUPAC2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)18-21-15-9-5-4-8-14(15)17(22-18)25-12-16(23)20-11-13-7-6-10-24-13/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyPDZLTDLPVQRUCS-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 654174) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID654174
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)18-21-15-9-5-4-8-14(15)17(22-18)25-12-16(23)20-11-13-7-6-10-24-13/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyPDZLTDLPVQRUCS-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 654174) is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PDZLTDLPVQRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-19(2,3)18-21-15-9-5-4-8-14(15)17(22-18)25-12-16(23)20-11-13-7-6-10-24-13/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).