(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one

C23H27NO4S — CID 15958398

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(S(C)=O)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO4S/c1-27-21-11-10-16(12-22(21)28-19-7-3-4-8-19)17-13-23(25)24(15-17)18-6-5-9-20(14-18)29(2)26/h5-6,9-12,14,17,19H,3-4,7-8,13,15H2,1-2H3/t17-,29?/m0/s1
InChIKeyASLGAGIXWVAZOC-PLKGVSPESA-N
MW413.54 g/mol
LogP4.27
Rot. Bonds6

About (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one (PubChem CID 15958398) has the molecular formula C23H27NO4S and a molecular weight of 413.54 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
PubChem CID15958398
Molecular FormulaC23H27NO4S
Molecular Weight413.54 g/mol
Exact Mass413.17
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(S(C)=O)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO4S/c1-27-21-11-10-16(12-22(21)28-19-7-3-4-8-19)17-13-23(25)24(15-17)18-6-5-9-20(14-18)29(2)26/h5-6,9-12,14,17,19H,3-4,7-8,13,15H2,1-2H3/t17-,29?/m0/s1
InChIKeyASLGAGIXWVAZOC-PLKGVSPESA-N
XLogP4.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide
CID 15958417
(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 71029510
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
CID 89203877
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one (CID 15958398) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3cccc(S(C)=O)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one?
The InChIKey is ASLGAGIXWVAZOC-PLKGVSPESA-N. The full InChI is InChI=1S/C23H27NO4S/c1-27-21-11-10-16(12-22(21)28-19-7-3-4-8-19)17-13-23(25)24(15-17)18-6-5-9-20(14-18)29(2)26/h5-6,9-12,14,17,19H,3-4,7-8,13,15H2,1-2H3/t17-,29?/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one has a molecular weight of 413.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15958398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).