2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide

C19H25N3O2S — CID 5152413

IUPAC2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESCCC(C)n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O2S/c1-3-13(2)22-18(24)15-10-6-7-11-16(15)21-19(22)25-12-17(23)20-14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,20,23)
InChIKeyUZLKATMWXBDZQE-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide

2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide (PubChem CID 5152413) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide
PubChem CID5152413
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESCCC(C)n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C19H25N3O2S/c1-3-13(2)22-18(24)15-10-6-7-11-16(15)21-19(22)25-12-17(23)20-14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,20,23)
InChIKeyUZLKATMWXBDZQE-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide (CID 5152413) is 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide is CCC(C)n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is UZLKATMWXBDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-13(2)22-18(24)15-10-6-7-11-16(15)21-19(22)25-12-17(23)20-14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide?
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 5152413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).