[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

C20H26N2O8S2 — CID 55730923

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)CC2)cc1
InChIInChI=1S/C20H26N2O8S2/c1-21(2)32(26,27)19-9-6-17(30-19)14-29-20(23)15-10-12-22(13-11-15)31(24,25)18-7-4-16(28-3)5-8-18/h4-9,15H,10-14H2,1-3H3
InChIKeyKMGACLPVPWIORA-UHFFFAOYSA-N
MW486.57 g/mol
LogP1.68
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 55730923) has the molecular formula C20H26N2O8S2 and a molecular weight of 486.57 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID55730923
Molecular FormulaC20H26N2O8S2
Molecular Weight486.57 g/mol
Exact Mass486.11
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)CC2)cc1
InChIInChI=1S/C20H26N2O8S2/c1-21(2)32(26,27)19-9-6-17(30-19)14-29-20(23)15-10-12-22(13-11-15)31(24,25)18-7-4-16(28-3)5-8-18/h4-9,15H,10-14H2,1-3H3
InChIKeyKMGACLPVPWIORA-UHFFFAOYSA-N
XLogP1.68
TPSA123.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 31226393
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31154587
2-(4-methoxyphenyl)ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42979943
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 55730923) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is COc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)CC2)cc1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is KMGACLPVPWIORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O8S2/c1-21(2)32(26,27)19-9-6-17(30-19)14-29-20(23)15-10-12-22(13-11-15)31(24,25)18-7-4-16(28-3)5-8-18/h4-9,15H,10-14H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 486.57 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55730923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).