methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate

C20H26N2O6S — CID 33180574

IUPACmethyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
SMILESCCOc1ccc(S(=O)(=O)N2CCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)cc1
InChIInChI=1S/C20H26N2O6S/c1-4-27-16-5-7-17(8-6-16)29(24,25)22-13-11-21(12-14-22)15(2)18-9-10-19(28-18)20(23)26-3/h5-10,15H,4,11-14H2,1-3H3/t15-/m1/s1
InChIKeyKLBHNOSAEHHQSJ-OAHLLOKOSA-N
MW422.50 g/mol
LogP2.53
Rot. Bonds7

About methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate

methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate (PubChem CID 33180574) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
PubChem CID33180574
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Namemethyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
SMILESCCOc1ccc(S(=O)(=O)N2CCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)cc1
InChIInChI=1S/C20H26N2O6S/c1-4-27-16-5-7-17(8-6-16)29(24,25)22-13-11-21(12-14-22)15(2)18-9-10-19(28-18)20(23)26-3/h5-10,15H,4,11-14H2,1-3H3/t15-/m1/s1
InChIKeyKLBHNOSAEHHQSJ-OAHLLOKOSA-N
XLogP2.53
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
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1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
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2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
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1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
CID 7873367
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
methyl 5-[(1S)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]furan-2-carboxylate
CID 97058450

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate (CID 33180574) is methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate is CCOc1ccc(S(=O)(=O)N2CCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)cc1.
What is the InChIKey of methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate?
The InChIKey is KLBHNOSAEHHQSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-4-27-16-5-7-17(8-6-16)29(24,25)22-13-11-21(12-14-22)15(2)18-9-10-19(28-18)20(23)26-3/h5-10,15H,4,11-14H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate?
methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate has a molecular weight of 422.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate is sourced from PubChem (CID 33180574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).