2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C22H23N3O3S — CID 7422538

IUPAC2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-7-9-16(10-8-15)12-23-20(26)14-29-21-18-5-2-6-19(18)25(22(27)24-21)13-17-4-3-11-28-17/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,23,26)
InChIKeyZTASLHIVRLTFCI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.09
Rot. Bonds7

About 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7422538) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7422538
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-7-9-16(10-8-15)12-23-20(26)14-29-21-18-5-2-6-19(18)25(22(27)24-21)13-17-4-3-11-28-17/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,23,26)
InChIKeyZTASLHIVRLTFCI-UHFFFAOYSA-N
XLogP3.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 7422538) is 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1.
What is the InChIKey of 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ZTASLHIVRLTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-7-9-16(10-8-15)12-23-20(26)14-29-21-18-5-2-6-19(18)25(22(27)24-21)13-17-4-3-11-28-17/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,23,26).
What are the key properties of 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-ylmethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7422538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).