2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C21H19N3O3S2 — CID 46607990

IUPAC2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H19N3O3S2/c1-23(11-15-8-10-28-13-15)19(25)14-29-21-22-18-7-3-2-6-17(18)20(26)24(21)12-16-5-4-9-27-16/h2-10,13H,11-12,14H2,1H3
InChIKeyGTSBBRDTWJNUTK-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.85
Rot. Bonds7

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 46607990) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID46607990
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H19N3O3S2/c1-23(11-15-8-10-28-13-15)19(25)14-29-21-22-18-7-3-2-6-17(18)20(26)24(21)12-16-5-4-9-27-16/h2-10,13H,11-12,14H2,1H3
InChIKeyGTSBBRDTWJNUTK-UHFFFAOYSA-N
XLogP3.85
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide with MolForge

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Related Compounds

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
N-[1-(4-fluorophenyl)ethyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 46667510
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4821809
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510952
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2490048
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 30556355
N-methyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 8539618
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2669103
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
N-butan-2-yl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5211162

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 46607990) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GTSBBRDTWJNUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-23(11-15-8-10-28-13-15)19(25)14-29-21-22-18-7-3-2-6-17(18)20(26)24(21)12-16-5-4-9-27-16/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 425.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 46607990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).