[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C19H22N2O6S — CID 9384736

IUPAC[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O6S/c1-14-17(8-13-26-14)19(23)27-15(2)18(22)20-9-11-21(12-10-20)28(24,25)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyHQNOXMQDWGRXIU-OAHLLOKOSA-N
MW406.46 g/mol
LogP1.67
Rot. Bonds5

About [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 9384736) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID9384736
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O6S/c1-14-17(8-13-26-14)19(23)27-15(2)18(22)20-9-11-21(12-10-20)28(24,25)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeyHQNOXMQDWGRXIU-OAHLLOKOSA-N
XLogP1.67
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate with MolForge

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Related Compounds

[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate
CID 16797607
[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 24500963
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 28568311
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8648862
[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 43015711
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one
CID 51545756
[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 8999675
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 9384736) is [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is HQNOXMQDWGRXIU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-14-17(8-13-26-14)19(23)27-15(2)18(22)20-9-11-21(12-10-20)28(24,25)16-6-4-3-5-7-16/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 9384736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).