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

C23H30N4O5S — CID 18578510

IUPACN-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-30-17-12-16(13-18(14-17)31-2)24-21(28)15-33-22-19-4-3-5-20(19)27(23(29)25-22)7-6-26-8-10-32-11-9-26/h12-14H,3-11,15H2,1-2H3,(H,24,28)
InChIKeyOUASYEVHBPKCEV-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.81
Rot. Bonds9

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

N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18578510) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18578510
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc(OC)c1
InChIInChI=1S/C23H30N4O5S/c1-30-17-12-16(13-18(14-17)31-2)24-21(28)15-33-22-19-4-3-5-20(19)27(23(29)25-22)7-6-26-8-10-32-11-9-26/h12-14H,3-11,15H2,1-2H3,(H,24,28)
InChIKeyOUASYEVHBPKCEV-UHFFFAOYSA-N
XLogP1.81
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18578510) is N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is COc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is OUASYEVHBPKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-30-17-12-16(13-18(14-17)31-2)24-21(28)15-33-22-19-4-3-5-20(19)27(23(29)25-22)7-6-26-8-10-32-11-9-26/h12-14H,3-11,15H2,1-2H3,(H,24,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 474.58 g/mol, XLogP of 1.81, 9 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-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).