N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C21H25N3O3S — CID 4532371

IUPACN-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H25N3O3S/c1-3-5-12-23(4-2)19(25)15-28-21-22-18-11-7-6-10-17(18)20(26)24(21)14-16-9-8-13-27-16/h6-11,13H,3-5,12,14-15H2,1-2H3
InChIKeyPYFFCZVSDHRJPO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.78
Rot. Bonds9

About N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4532371) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4532371
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H25N3O3S/c1-3-5-12-23(4-2)19(25)15-28-21-22-18-11-7-6-10-17(18)20(26)24(21)14-16-9-8-13-27-16/h6-11,13H,3-5,12,14-15H2,1-2H3
InChIKeyPYFFCZVSDHRJPO-UHFFFAOYSA-N
XLogP3.78
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4532371) is N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is PYFFCZVSDHRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-3-5-12-23(4-2)19(25)15-28-21-22-18-11-7-6-10-17(18)20(26)24(21)14-16-9-8-13-27-16/h6-11,13H,3-5,12,14-15H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4532371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).