N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

C24H32N4O5S — CID 18578557

IUPACN-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc(OC)c1
InChIInChI=1S/C24H32N4O5S/c1-31-18-13-17(14-19(15-18)32-2)25-22(29)16-34-23-20-5-3-6-21(20)28(24(30)26-23)8-4-7-27-9-11-33-12-10-27/h13-15H,3-12,16H2,1-2H3,(H,25,29)
InChIKeyUSBXQEPRFOBJEQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.20
Rot. Bonds10

About N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18578557) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18578557
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc(OC)c1
InChIInChI=1S/C24H32N4O5S/c1-31-18-13-17(14-19(15-18)32-2)25-22(29)16-34-23-20-5-3-6-21(20)28(24(30)26-23)8-4-7-27-9-11-33-12-10-27/h13-15H,3-12,16H2,1-2H3,(H,25,29)
InChIKeyUSBXQEPRFOBJEQ-UHFFFAOYSA-N
XLogP2.20
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18578557) is N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is COc1cc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is USBXQEPRFOBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-31-18-13-17(14-19(15-18)32-2)25-22(29)16-34-23-20-5-3-6-21(20)28(24(30)26-23)8-4-7-27-9-11-33-12-10-27/h13-15H,3-12,16H2,1-2H3,(H,25,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 488.61 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).