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

C23H27NO5S — CID 11743380

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(S(C)(=O)=O)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO5S/c1-28-21-12-7-16(13-22(21)29-19-5-3-4-6-19)17-14-23(25)24(15-17)18-8-10-20(11-9-18)30(2,26)27/h7-13,17,19H,3-6,14-15H2,1-2H3/t17-/m0/s1
InChIKeyGZCVMXHJFSMVTL-KRWDZBQOSA-N
MW429.54 g/mol
LogP3.94
Rot. Bonds6

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

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 11743380) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID11743380
Molecular FormulaC23H27NO5S
Molecular Weight429.54 g/mol
Exact Mass429.16
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(S(C)(=O)=O)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO5S/c1-28-21-12-7-16(13-22(21)29-19-5-3-4-6-19)17-14-23(25)24(15-17)18-8-10-20(11-9-18)30(2,26)27/h7-13,17,19H,3-6,14-15H2,1-2H3/t17-/m0/s1
InChIKeyGZCVMXHJFSMVTL-KRWDZBQOSA-N
XLogP3.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(m-tolyl)pyrrolidin-2-one
CID 10021760
3-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]benzonitrile
CID 10452155
(R)-1-(3-aminophenyl)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one
CID 15958380
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-methoxy-
CID 15958408
4-[(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-pyrrolidin-1-yl]benzonitrile
CID 10045073
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958399
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-4-methoxy-
CID 15958409
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-(trifluoromethoxy)-
CID 15958410
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-2,5-dimethoxy-
CID 15958411
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-2-methoxy-5-methyl-
CID 15958412
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-2-fluoro-
CID 15958416
Benzenesulfonamide, N-[3-[(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-fluoro-
CID 15958417

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one (CID 11743380) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3ccc(S(C)(=O)=O)cc3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is GZCVMXHJFSMVTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-28-21-12-7-16(13-22(21)29-19-5-3-4-6-19)17-14-23(25)24(15-17)18-8-10-20(11-9-18)30(2,26)27/h7-13,17,19H,3-6,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 429.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 11743380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).