2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

C21H20N4O3S — CID 8784607

IUPAC2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N4O3S/c1-13-5-7-14(8-6-13)22-18(26)11-25(2)10-17-23-20(27)19-15(12-29-21(19)24-17)16-4-3-9-28-16/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyORYCZLXSSHMLHR-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.62
Rot. Bonds6

About 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8784607) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8784607
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N4O3S/c1-13-5-7-14(8-6-13)22-18(26)11-25(2)10-17-23-20(27)19-15(12-29-21(19)24-17)16-4-3-9-28-16/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyORYCZLXSSHMLHR-UHFFFAOYSA-N
XLogP3.62
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 18197551
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
CID 18197538
N-(4-bromo-2-methylphenyl)-2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 17434613
2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534913
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197556
ethyl 4-(furan-2-yl)-2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 135891163
2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197513
1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 9291984
2-[(1R)-1-(3,4-dimethylanilino)ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 25351173
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784701
[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8784654

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 8784607) is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is ORYCZLXSSHMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13-5-7-14(8-6-13)22-18(26)11-25(2)10-17-23-20(27)19-15(12-29-21(19)24-17)16-4-3-9-28-16/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8784607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).