N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C23H17N3O4S2 — CID 1281399

IUPACN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C23H17N3O4S2/c27-19(24-12-16-8-4-10-29-16)14-32-23-25-21-20(17(13-31-21)18-9-5-11-30-18)22(28)26(23)15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,27)
InChIKeyJXBXUOJURARBST-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.71
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 1281399) has the molecular formula C23H17N3O4S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID1281399
Molecular FormulaC23H17N3O4S2
Molecular Weight463.54 g/mol
Exact Mass463.07
IUPAC NameN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C23H17N3O4S2/c27-19(24-12-16-8-4-10-29-16)14-32-23-25-21-20(17(13-31-21)18-9-5-11-30-18)22(28)26(23)15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,27)
InChIKeyJXBXUOJURARBST-UHFFFAOYSA-N
XLogP4.71
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2386977
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832954
2-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1314320
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
N-(furan-2-ylmethyl)-2-[[11-methyl-4-(4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
CID 2009185
N-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2660206
N-methyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7743776
N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2567762
N-tert-butyl-2-[3-ethyl-5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 17430622
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 2673547
2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1304000
N-carbamoyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2500326

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 1281399) is N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is JXBXUOJURARBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S2/c27-19(24-12-16-8-4-10-29-16)14-32-23-25-21-20(17(13-31-21)18-9-5-11-30-18)22(28)26(23)15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 463.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).