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

C22H28N4O4S — CID 18578488

IUPACN-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2
InChIInChI=1S/C22H28N4O4S/c1-29-19-8-3-2-6-17(19)23-20(27)15-31-21-16-5-4-7-18(16)26(22(28)24-21)10-9-25-11-13-30-14-12-25/h2-3,6,8H,4-5,7,9-15H2,1H3,(H,23,27)
InChIKeyCHGSCJKPPKPPFI-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.80
Rot. Bonds8

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

N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18578488) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18578488
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2
InChIInChI=1S/C22H28N4O4S/c1-29-19-8-3-2-6-17(19)23-20(27)15-31-21-16-5-4-7-18(16)26(22(28)24-21)10-9-25-11-13-30-14-12-25/h2-3,6,8H,4-5,7,9-15H2,1H3,(H,23,27)
InChIKeyCHGSCJKPPKPPFI-UHFFFAOYSA-N
XLogP1.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-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-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18578488) is N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is CHGSCJKPPKPPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-29-19-8-3-2-6-17(19)23-20(27)15-31-21-16-5-4-7-18(16)26(22(28)24-21)10-9-25-11-13-30-14-12-25/h2-3,6,8H,4-5,7,9-15H2,1H3,(H,23,27).
What are the key properties of N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).