methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate

C17H20N2O5S — CID 120723866

IUPACmethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H20N2O5S/c1-3-14-16(7-15(24-14)17(20)23-2)25(21,22)19-8-11-4-5-12-9-18-10-13(12)6-11/h4-7,18-19H,3,8-10H2,1-2H3
InChIKeyOSSZVRBBIYKNJC-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.71
Rot. Bonds6

About methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate

methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate (PubChem CID 120723866) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate
PubChem CID120723866
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Namemethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate
SMILESCCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H20N2O5S/c1-3-14-16(7-15(24-14)17(20)23-2)25(21,22)19-8-11-4-5-12-9-18-10-13(12)6-11/h4-7,18-19H,3,8-10H2,1-2H3
InChIKeyOSSZVRBBIYKNJC-UHFFFAOYSA-N
XLogP1.71
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-3-methoxybenzoate
CID 120723960
methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
CID 105357743
ethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)benzoate
CID 120724132
methyl 5-ethyl-4-[2-(propylamino)ethylsulfamoyl]furan-2-carboxylate
CID 120715901
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)acetate
CID 105357735
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoylmethyl)benzoate
CID 120724118
2-[(2-ethyl-5-methoxycarbonylfuran-3-yl)sulfonylamino]propanoic acid
CID 122068193
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 105357708
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethoxybenzenesulfonamide
CID 120724219
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 120724318
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 120723910

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate?
The IUPAC name of methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate (CID 120723866) is methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate is CCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1ccc2c(c1)CNC2.
What is the InChIKey of methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate?
The InChIKey is OSSZVRBBIYKNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-3-14-16(7-15(24-14)17(20)23-2)25(21,22)19-8-11-4-5-12-9-18-10-13(12)6-11/h4-7,18-19H,3,8-10H2,1-2H3.
What are the key properties of methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate?
methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-5-ethylfuran-2-carboxylate is sourced from PubChem (CID 120723866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).