2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C19H24N4O4S2 — CID 135470547

IUPAC2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1
InChIInChI=1S/C19H24N4O4S2/c1-3-4-15-11-17(24)21-19(20-15)28-12-18(25)22-9-10-23(13-22)29(26,27)16-7-5-14(2)6-8-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,20,21,24)
InChIKeyXBIMBKBUEDOMLD-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.61
Rot. Bonds7

About 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135470547) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135470547
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1
InChIInChI=1S/C19H24N4O4S2/c1-3-4-15-11-17(24)21-19(20-15)28-12-18(25)22-9-10-23(13-22)29(26,27)16-7-5-14(2)6-8-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,20,21,24)
InChIKeyXBIMBKBUEDOMLD-UHFFFAOYSA-N
XLogP1.61
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135470547) is 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1.
What is the InChIKey of 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is XBIMBKBUEDOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-3-4-15-11-17(24)21-19(20-15)28-12-18(25)22-9-10-23(13-22)29(26,27)16-7-5-14(2)6-8-16/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 436.56 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).