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

C23H29ClN4O3S — CID 18578552

IUPACN-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2
InChIInChI=1S/C23H29ClN4O3S/c1-16-18(24)6-3-7-19(16)25-21(29)15-32-22-17-5-2-8-20(17)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,6-7H,2,4-5,8-15H2,1H3,(H,25,29)
InChIKeyHOMMZSMNDQFJJN-UHFFFAOYSA-N
MW477.03 g/mol
LogP3.15
Rot. Bonds8

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

N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18578552) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18578552
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2
InChIInChI=1S/C23H29ClN4O3S/c1-16-18(24)6-3-7-19(16)25-21(29)15-32-22-17-5-2-8-20(17)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,6-7H,2,4-5,8-15H2,1H3,(H,25,29)
InChIKeyHOMMZSMNDQFJJN-UHFFFAOYSA-N
XLogP3.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(3-morpholin-4-ylpropyl)acetamide
CID 3245470
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-(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
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
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185407
N-(3-Chloro-2-methylphenyl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}sulfanyl)acetamide
CID 7185226
2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(o-tolyl)acetamide
CID 16032751
N-(3,4-dichlorophenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032766
N-(3-chloro-2-methylphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032768
2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(o-tolyl)acetamide
CID 18578693

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18578552) is N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is HOMMZSMNDQFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c1-16-18(24)6-3-7-19(16)25-21(29)15-32-22-17-5-2-8-20(17)28(23(30)26-22)10-4-9-27-11-13-31-14-12-27/h3,6-7H,2,4-5,8-15H2,1H3,(H,25,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 477.03 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18578552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).