4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C20H29N3O5S — CID 108568605

IUPAC4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1
InChIInChI=1S/C20H29N3O5S/c1-4-28-17-5-7-18(8-6-17)29(26,27)22-11-9-21(10-12-22)20(25)16-13-19(24)23(14-16)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyOFUKUANPJMWPDY-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.18
Rot. Bonds6

About 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 108568605) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID108568605
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1
InChIInChI=1S/C20H29N3O5S/c1-4-28-17-5-7-18(8-6-17)29(26,27)22-11-9-21(10-12-22)20(25)16-13-19(24)23(14-16)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyOFUKUANPJMWPDY-UHFFFAOYSA-N
XLogP1.18
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545947
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365
(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 30824632

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 108568605) is 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is OFUKUANPJMWPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-4-28-17-5-7-18(8-6-17)29(26,27)22-11-9-21(10-12-22)20(25)16-13-19(24)23(14-16)15(2)3/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 108568605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).