5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C23H21N3O3S2 — CID 1233938

IUPAC5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(SCC(=O)N4CCCC4)n(-c4ccccc4)c(=O)c23)o1
InChIInChI=1S/C23H21N3O3S2/c1-15-9-10-18(29-15)17-13-30-21-20(17)22(28)26(16-7-3-2-4-8-16)23(24-21)31-14-19(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyQUPBZTIBRDWLHU-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.73
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1233938) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID1233938
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(SCC(=O)N4CCCC4)n(-c4ccccc4)c(=O)c23)o1
InChIInChI=1S/C23H21N3O3S2/c1-15-9-10-18(29-15)17-13-30-21-20(17)22(28)26(16-7-3-2-4-8-16)23(24-21)31-14-19(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyQUPBZTIBRDWLHU-UHFFFAOYSA-N
XLogP4.73
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1288482
N-methyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7743776
3-(4-methoxyphenyl)-5,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 126222348
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one
CID 2383686
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 1281399
2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1045490
2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1304000
3-(4-ethylphenyl)-5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 1021194
N-carbamoyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2500326
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 40914153
N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 60525480
2-[3-(4-fluorophenyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 91065348

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 1233938) is 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC4)n(-c4ccccc4)c(=O)c23)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is QUPBZTIBRDWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-15-9-10-18(29-15)17-13-30-21-20(17)22(28)26(16-7-3-2-4-8-16)23(24-21)31-14-19(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 451.57 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1233938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).