1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione

C23H31FN2O6S — CID 58218464

IUPAC1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESCC[C@@](O)(CCS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C23H31FN2O6S/c1-2-23(29,17-8-9-19(24)20(16-17)32-18-6-3-4-7-18)11-15-33(30,31)14-5-12-26-13-10-21(27)25-22(26)28/h8-10,13,16,18,29H,2-7,11-12,14-15H2,1H3,(H,25,27,28)/t23-/m1/s1
InChIKeyJSXWPBJKDZBNFL-HSZRJFAPSA-N
MW482.57 g/mol
LogP2.49
Rot. Bonds11

About 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione

1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione (PubChem CID 58218464) has the molecular formula C23H31FN2O6S and a molecular weight of 482.57 g/mol. Its IUPAC name is 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione
PubChem CID58218464
Molecular FormulaC23H31FN2O6S
Molecular Weight482.57 g/mol
Exact Mass482.19
IUPAC Name1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESCC[C@@](O)(CCS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C23H31FN2O6S/c1-2-23(29,17-8-9-19(24)20(16-17)32-18-6-3-4-7-18)11-15-33(30,31)14-5-12-26-13-10-21(27)25-22(26)28/h8-10,13,16,18,29H,2-7,11-12,14-15H2,1H3,(H,25,27,28)/t23-/m1/s1
InChIKeyJSXWPBJKDZBNFL-HSZRJFAPSA-N
XLogP2.49
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione (CID 58218464) is 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione is CC[C@@](O)(CCS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione?
The InChIKey is JSXWPBJKDZBNFL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31FN2O6S/c1-2-23(29,17-8-9-19(24)20(16-17)32-18-6-3-4-7-18)11-15-33(30,31)14-5-12-26-13-10-21(27)25-22(26)28/h8-10,13,16,18,29H,2-7,11-12,14-15H2,1H3,(H,25,27,28)/t23-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione?
1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione has a molecular weight of 482.57 g/mol, XLogP of 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-3-hydroxypentyl]sulfonylpropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 58218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).