2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

C15H21N3O3S — CID 18587873

IUPAC2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(=O)n(CC2CCCO2)c2c1CCCC2
InChIInChI=1S/C15H21N3O3S/c16-13(19)9-22-14-11-5-1-2-6-12(11)18(15(20)17-14)8-10-4-3-7-21-10/h10H,1-9H2,(H2,16,19)
InChIKeyLYSYLAYUTYYLAJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.88
Rot. Bonds5

About 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide

2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (PubChem CID 18587873) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
PubChem CID18587873
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(=O)n(CC2CCCO2)c2c1CCCC2
InChIInChI=1S/C15H21N3O3S/c16-13(19)9-22-14-11-5-1-2-6-12(11)18(15(20)17-14)8-10-4-3-7-21-10/h10H,1-9H2,(H2,16,19)
InChIKeyLYSYLAYUTYYLAJ-UHFFFAOYSA-N
XLogP0.88
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide (CID 18587873) is 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is NC(=O)CSc1nc(=O)n(CC2CCCO2)c2c1CCCC2.
What is the InChIKey of 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
The InChIKey is LYSYLAYUTYYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-13(19)9-22-14-11-5-1-2-6-12(11)18(15(20)17-14)8-10-4-3-7-21-10/h10H,1-9H2,(H2,16,19).
What are the key properties of 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide?
2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18587873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).