[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate

C20H26N2O7S2 — CID 55730756

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O7S2/c1-15-7-8-16(13-18(15)30(24,25)22-11-5-4-6-12-22)20(23)28-14-17-9-10-19(29-17)31(26,27)21(2)3/h7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyGKOQVFBFDSBXFO-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.37
Rot. Bonds7

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 55730756) has the molecular formula C20H26N2O7S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
PubChem CID55730756
Molecular FormulaC20H26N2O7S2
Molecular Weight470.57 g/mol
Exact Mass470.12
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O7S2/c1-15-7-8-16(13-18(15)30(24,25)22-11-5-4-6-12-22)20(23)28-14-17-9-10-19(29-17)31(26,27)21(2)3/h7-10,13H,4-6,11-12,14H2,1-3H3
InChIKeyGKOQVFBFDSBXFO-UHFFFAOYSA-N
XLogP2.37
TPSA114.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate with MolForge

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Related Compounds

(2-oxo-2-propan-2-yloxyethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 46638412
(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528609
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 8868013
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
2-(4-ethoxyphenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 4316731
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2386484
1,3-benzothiazol-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2568292
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
2-(4-methoxyphenyl)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 7824866
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 7824861

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate (CID 55730756) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate is Cc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is GKOQVFBFDSBXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7S2/c1-15-7-8-16(13-18(15)30(24,25)22-11-5-4-6-12-22)20(23)28-14-17-9-10-19(29-17)31(26,27)21(2)3/h7-10,13H,4-6,11-12,14H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 470.57 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55730756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).