2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C17H19NO5S — CID 18099904

IUPAC2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESC=C(C)COC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C17H19NO5S/c1-12(2)11-23-17(19)16-9-15(7-6-13(16)3)24(20,21)18-10-14-5-4-8-22-14/h4-9,18H,1,10-11H2,2-3H3
InChIKeyMXZGHCONWVPVPA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.80
Rot. Bonds7

About 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 18099904) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID18099904
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESC=C(C)COC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C17H19NO5S/c1-12(2)11-23-17(19)16-9-15(7-6-13(16)3)24(20,21)18-10-14-5-4-8-22-14/h4-9,18H,1,10-11H2,2-3H3
InChIKeyMXZGHCONWVPVPA-UHFFFAOYSA-N
XLogP2.80
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495265
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323218
[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18125541
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 18099904) is 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is C=C(C)COC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C.
What is the InChIKey of 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is MXZGHCONWVPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(2)11-23-17(19)16-9-15(7-6-13(16)3)24(20,21)18-10-14-5-4-8-22-14/h4-9,18H,1,10-11H2,2-3H3.
What are the key properties of 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 349.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 18099904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).