methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C20H23BrN2O6S — CID 25033380

IUPACmethyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H23BrN2O6S/c1-12-17(20(25)28-3)18(13(2)29-12)30(26,27)22-16-11-14(21)7-8-15(16)19(24)23-9-5-4-6-10-23/h7-8,11,22H,4-6,9-10H2,1-3H3
InChIKeyUIPPRWRZTMNCJA-UHFFFAOYSA-N
MW499.38 g/mol
LogP3.87
Rot. Bonds5

About methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 25033380) has the molecular formula C20H23BrN2O6S and a molecular weight of 499.38 g/mol. Its IUPAC name is methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID25033380
Molecular FormulaC20H23BrN2O6S
Molecular Weight499.38 g/mol
Exact Mass498.05
IUPAC Namemethyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H23BrN2O6S/c1-12-17(20(25)28-3)18(13(2)29-12)30(26,27)22-16-11-14(21)7-8-15(16)19(24)23-9-5-4-6-10-23/h7-8,11,22H,4-6,9-10H2,1-3H3
InChIKeyUIPPRWRZTMNCJA-UHFFFAOYSA-N
XLogP3.87
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate with MolForge

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Related Compounds

N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25033229
methyl 4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 55691812
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
CID 43069694
4-(azepane-1-carbonyl)-N-(4-bromo-2-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945656
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069695
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 25033380) is methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C(=O)N1CCCCC1.
What is the InChIKey of methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is UIPPRWRZTMNCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O6S/c1-12-17(20(25)28-3)18(13(2)29-12)30(26,27)22-16-11-14(21)7-8-15(16)19(24)23-9-5-4-6-10-23/h7-8,11,22H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 499.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 25033380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).