N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

C23H24N4O4S — CID 18581333

IUPACN-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1
InChIInChI=1S/C23H24N4O4S/c1-30-16-9-10-20(31-2)18(12-16)25-21(28)14-32-22-17-7-5-8-19(17)27(23(29)26-22)13-15-6-3-4-11-24-15/h3-4,6,9-12H,5,7-8,13-14H2,1-2H3,(H,25,28)
InChIKeyFPDFSGQPEBFKOW-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.92
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18581333) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18581333
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1
InChIInChI=1S/C23H24N4O4S/c1-30-16-9-10-20(31-2)18(12-16)25-21(28)14-32-22-17-7-5-8-19(17)27(23(29)26-22)13-15-6-3-4-11-24-15/h3-4,6,9-12H,5,7-8,13-14H2,1-2H3,(H,25,28)
InChIKeyFPDFSGQPEBFKOW-UHFFFAOYSA-N
XLogP2.92
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18581333) is N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is FPDFSGQPEBFKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-30-16-9-10-20(31-2)18(12-16)25-21(28)14-32-22-17-7-5-8-19(17)27(23(29)26-22)13-15-6-3-4-11-24-15/h3-4,6,9-12H,5,7-8,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 452.54 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[2-oxo-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18581333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).