(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H25N3O5S — CID 92751803

IUPAC(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-9-7-17(8-10-18)23-13-15-24(16-14-23)22(27)20-11-12-21(26)25(20)31(28,29)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3/t20-/m1/s1
InChIKeyFGYFAPCONLHLOK-HXUWFJFHSA-N
MW443.53 g/mol
LogP1.72
Rot. Bonds5

About (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92751803) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID92751803
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-9-7-17(8-10-18)23-13-15-24(16-14-23)22(27)20-11-12-21(26)25(20)31(28,29)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3/t20-/m1/s1
InChIKeyFGYFAPCONLHLOK-HXUWFJFHSA-N
XLogP1.72
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92751777
1-(4-fluorophenyl)sulfonyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 53000574
(5S)-1-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 92751778
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093273
(5S)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093274
(5R)-1-(4-methylphenyl)sulfonyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93059294
1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
(1S,2R,3S,4S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98368835
(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one
CID 92509083

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 92751803) is (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FGYFAPCONLHLOK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-30-18-9-7-17(8-10-18)23-13-15-24(16-14-23)22(27)20-11-12-21(26)25(20)31(28,29)19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 443.53 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92751803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).