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

C22H27FN4O3S — CID 18578529

IUPACN-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccccc1F
InChIInChI=1S/C22H27FN4O3S/c23-17-6-1-2-7-18(17)24-20(28)15-31-21-16-5-3-8-19(16)27(22(29)25-21)10-4-9-26-11-13-30-14-12-26/h1-2,6-7H,3-5,8-15H2,(H,24,28)
InChIKeyJAEJRVJBXKEDRY-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.32
Rot. Bonds8

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

N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18578529) has the molecular formula C22H27FN4O3S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18578529
Molecular FormulaC22H27FN4O3S
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC NameN-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccccc1F
InChIInChI=1S/C22H27FN4O3S/c23-17-6-1-2-7-18(17)24-20(28)15-31-21-16-5-3-8-19(16)27(22(29)25-21)10-4-9-26-11-13-30-14-12-26/h1-2,6-7H,3-5,8-15H2,(H,24,28)
InChIKeyJAEJRVJBXKEDRY-UHFFFAOYSA-N
XLogP2.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578512
N-(3-acetamidophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578527
N-(4-fluorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578531
N-(2,4-difluorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578542
N-(4-isopropylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578550
N-(4-butylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578551
2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
CID 18578600
2-((1-(3-(diethylamino)propyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(3,4-difluorophenyl)acetamide
CID 18578671
N-(3-acetamidophenyl)-2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578691
2-({1-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
CID 18578712
N-(3-chlorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578792
N-(4-chlorophenyl)-2-((1-(3-morpholinopropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578793

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18578529) is N-(2-fluorophenyl)-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-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is JAEJRVJBXKEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S/c23-17-6-1-2-7-18(17)24-20(28)15-31-21-16-5-3-8-19(16)27(22(29)25-21)10-4-9-26-11-13-30-14-12-26/h1-2,6-7H,3-5,8-15H2,(H,24,28).
What are the key properties of N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).