methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate

C18H21NO6S — CID 47064760

IUPACmethyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C18H21NO6S/c1-23-18(20)10-12-25-15-6-8-17(9-7-15)26(21,22)19(14-4-5-14)13-16-3-2-11-24-16/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKeyIMCMNLRTYQKXCF-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.57
Rot. Bonds9

About methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate

methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate (PubChem CID 47064760) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate
PubChem CID47064760
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Namemethyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C18H21NO6S/c1-23-18(20)10-12-25-15-6-8-17(9-7-15)26(21,22)19(14-4-5-14)13-16-3-2-11-24-16/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3
InChIKeyIMCMNLRTYQKXCF-UHFFFAOYSA-N
XLogP2.57
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
CID 60718266
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60522614
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268204
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 65428570
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 23998468
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate (CID 47064760) is methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate is COC(=O)CCOc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1.
What is the InChIKey of methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate?
The InChIKey is IMCMNLRTYQKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-23-18(20)10-12-25-15-6-8-17(9-7-15)26(21,22)19(14-4-5-14)13-16-3-2-11-24-16/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3.
What are the key properties of methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate?
methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate has a molecular weight of 379.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate is sourced from PubChem (CID 47064760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).