ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate

C20H24N2O6S — CID 91950561

IUPACethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3cc(S(=O)(=O)NC4CC4)ccc3o2)C1
InChIInChI=1S/C20H24N2O6S/c1-2-27-20(24)13-4-3-9-22(12-13)19(23)18-11-14-10-16(7-8-17(14)28-18)29(25,26)21-15-5-6-15/h7-8,10-11,13,15,21H,2-6,9,12H2,1H3
InChIKeyVUINKGIPTUMIIM-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.29
Rot. Bonds6

About ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate (PubChem CID 91950561) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate
PubChem CID91950561
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3cc(S(=O)(=O)NC4CC4)ccc3o2)C1
InChIInChI=1S/C20H24N2O6S/c1-2-27-20(24)13-4-3-9-22(12-13)19(23)18-11-14-10-16(7-8-17(14)28-18)29(25,26)21-15-5-6-15/h7-8,10-11,13,15,21H,2-6,9,12H2,1H3
InChIKeyVUINKGIPTUMIIM-UHFFFAOYSA-N
XLogP2.29
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316
ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 43853493
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 119594513
ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 84571140
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
ethyl 1-(3-chlorosulfonylbenzoyl)piperidine-3-carboxylate
CID 110823502
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate (CID 91950561) is ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3cc(S(=O)(=O)NC4CC4)ccc3o2)C1.
What is the InChIKey of ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is VUINKGIPTUMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-2-27-20(24)13-4-3-9-22(12-13)19(23)18-11-14-10-16(7-8-17(14)28-18)29(25,26)21-15-5-6-15/h7-8,10-11,13,15,21H,2-6,9,12H2,1H3.
What are the key properties of ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 91950561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).