2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide

C23H20N4O4S — CID 56501274

IUPAC2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCc1sc2ncn(NC(=O)COc3ccc(CC(N)=O)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H20N4O4S/c1-14-20(16-5-3-2-4-6-16)21-22(32-14)25-13-27(23(21)30)26-19(29)12-31-17-9-7-15(8-10-17)11-18(24)28/h2-10,13H,11-12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyDQQDLFYIPDPXMT-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide

2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide (PubChem CID 56501274) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide
PubChem CID56501274
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCc1sc2ncn(NC(=O)COc3ccc(CC(N)=O)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C23H20N4O4S/c1-14-20(16-5-3-2-4-6-16)21-22(32-14)25-13-27(23(21)30)26-19(29)12-31-17-9-7-15(8-10-17)11-18(24)28/h2-10,13H,11-12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyDQQDLFYIPDPXMT-UHFFFAOYSA-N
XLogP2.61
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide with MolForge

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Related Compounds

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-(4-phenylphenoxy)propanamide
CID 56501012
1-ethyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
CID 8742011
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55338389
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55430073
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55338161
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55439492
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(propanoylamino)benzamide
CID 56500875
5-bromo-2-fluoro-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55338348
2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 40588513
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55338159
3-(4-fluorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-methylsulfanylimidazole-4-carboxamide
CID 55338183

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide (CID 56501274) is 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide is Cc1sc2ncn(NC(=O)COc3ccc(CC(N)=O)cc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is DQQDLFYIPDPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-14-20(16-5-3-2-4-6-16)21-22(32-14)25-13-27(23(21)30)26-19(29)12-31-17-9-7-15(8-10-17)11-18(24)28/h2-10,13H,11-12H2,1H3,(H2,24,28)(H,26,29).
What are the key properties of 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 56501274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).