(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one

C24H25N3O7S — CID 92509083

IUPAC(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3[C@H]3OC(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C24H25N3O7S/c1-33-16-6-8-17(9-7-16)35(31,32)26-14-12-25(13-15-26)22(29)20-10-11-21(28)27(20)23-18-4-2-3-5-19(18)24(30)34-23/h2-9,20,23H,10-15H2,1H3/t20-,23+/m1/s1
InChIKeyKGKMHVXMAYUBAX-OFNKIYASSA-N
MW499.55 g/mol
LogP1.39
Rot. Bonds5

About (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one

(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one (PubChem CID 92509083) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one
PubChem CID92509083
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3[C@H]3OC(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C24H25N3O7S/c1-33-16-6-8-17(9-7-16)35(31,32)26-14-12-25(13-15-26)22(29)20-10-11-21(28)27(20)23-18-4-2-3-5-19(18)24(30)34-23/h2-9,20,23H,10-15H2,1H3/t20-,23+/m1/s1
InChIKeyKGKMHVXMAYUBAX-OFNKIYASSA-N
XLogP1.39
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3830441
(2R)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxylate
CID 6953894
(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92751803
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204
2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119179393
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
(2S)-N-(3,4-dimethoxyphenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083406
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083516
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one (CID 92509083) is (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3[C@H]3OC(=O)c4ccccc43)CC2)cc1.
What is the InChIKey of (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one?
The InChIKey is KGKMHVXMAYUBAX-OFNKIYASSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-33-16-6-8-17(9-7-16)35(31,32)26-14-12-25(13-15-26)22(29)20-10-11-21(28)27(20)23-18-4-2-3-5-19(18)24(30)34-23/h2-9,20,23H,10-15H2,1H3/t20-,23+/m1/s1.
What are the key properties of (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one?
(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one has a molecular weight of 499.55 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 92509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).