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

C20H17N3O4S — CID 653002

IUPACN-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccco1
InChIInChI=1S/C20H17N3O4S/c24-18(21-11-14-5-3-9-26-14)13-28-20-22-17-8-2-1-7-16(17)19(25)23(20)12-15-6-4-10-27-15/h1-10H,11-13H2,(H,21,24)
InChIKeyMJIQDEIRWMRZCB-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.04
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 653002) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID653002
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccco1
InChIInChI=1S/C20H17N3O4S/c24-18(21-11-14-5-3-9-26-14)13-28-20-22-17-8-2-1-7-16(17)19(25)23(20)12-15-6-4-10-27-15/h1-10H,11-13H2,(H,21,24)
InChIKeyMJIQDEIRWMRZCB-UHFFFAOYSA-N
XLogP3.04
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 653002) is N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is MJIQDEIRWMRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c24-18(21-11-14-5-3-9-26-14)13-28-20-22-17-8-2-1-7-16(17)19(25)23(20)12-15-6-4-10-27-15/h1-10H,11-13H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 395.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 653002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).