1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

C19H26N2O5S — CID 47005306

IUPAC1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C19H26N2O5S/c1-16-4-6-19(7-5-16)27(23,24)21-10-8-20(9-11-21)13-17(22)14-25-15-18-3-2-12-26-18/h2-7,12,17,22H,8-11,13-15H2,1H3
InChIKeyXBDZGVVWWWTSBL-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.47
Rot. Bonds8

About 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 47005306) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID47005306
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C19H26N2O5S/c1-16-4-6-19(7-5-16)27(23,24)21-10-8-20(9-11-21)13-17(22)14-25-15-18-3-2-12-26-18/h2-7,12,17,22H,8-11,13-15H2,1H3
InChIKeyXBDZGVVWWWTSBL-UHFFFAOYSA-N
XLogP1.47
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
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1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
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1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 3743915
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 47005306) is 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is Cc1ccc(S(=O)(=O)N2CCN(CC(O)COCc3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is XBDZGVVWWWTSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-16-4-6-19(7-5-16)27(23,24)21-10-8-20(9-11-21)13-17(22)14-25-15-18-3-2-12-26-18/h2-7,12,17,22H,8-11,13-15H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 394.49 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 47005306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).