(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C25H30FN3O4S — CID 30824632

IUPAC(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C25H30FN3O4S/c1-3-18(2)22-6-4-5-7-23(22)29-17-19(16-24(29)30)25(31)27-12-14-28(15-13-27)34(32,33)21-10-8-20(26)9-11-21/h4-11,18-19H,3,12-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyRUMGPXUDKWMJNI-MOPGFXCFSA-N
MW487.60 g/mol
LogP3.23
Rot. Bonds6

About (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 30824632) has the molecular formula C25H30FN3O4S and a molecular weight of 487.60 g/mol. Its IUPAC name is (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID30824632
Molecular FormulaC25H30FN3O4S
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C25H30FN3O4S/c1-3-18(2)22-6-4-5-7-23(22)29-17-19(16-24(29)30)25(31)27-12-14-28(15-13-27)34(32,33)21-10-8-20(26)9-11-21/h4-11,18-19H,3,12-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyRUMGPXUDKWMJNI-MOPGFXCFSA-N
XLogP3.23
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-ylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 25163245
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
1-(2-ethylphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42909140
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
N-[[1-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55745618
1-(3-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 43058688
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25344342
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108568605
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 30824632) is (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RUMGPXUDKWMJNI-MOPGFXCFSA-N. The full InChI is InChI=1S/C25H30FN3O4S/c1-3-18(2)22-6-4-5-7-23(22)29-17-19(16-24(29)30)25(31)27-12-14-28(15-13-27)34(32,33)21-10-8-20(26)9-11-21/h4-11,18-19H,3,12-17H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 487.60 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 30824632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).