2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid

C15H17NO6S — CID 146121445

IUPAC2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid
SMILESCc1occc1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H17NO6S/c1-11-12(7-8-21-11)9-16(2)23(19,20)14-5-3-13(4-6-14)22-10-15(17)18/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyGCMGAOHSAFRKIT-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid

2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid (PubChem CID 146121445) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid
PubChem CID146121445
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Name2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid
SMILESCc1occc1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H17NO6S/c1-11-12(7-8-21-11)9-16(2)23(19,20)14-5-3-13(4-6-14)22-10-15(17)18/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyGCMGAOHSAFRKIT-UHFFFAOYSA-N
XLogP1.87
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid
CID 63865327
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenoxy]acetic acid
CID 81036384
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 81441145
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-2-sulfonamide
CID 61384057
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid (CID 146121445) is 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid is Cc1occc1CN(C)S(=O)(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid?
The InChIKey is GCMGAOHSAFRKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c1-11-12(7-8-21-11)9-16(2)23(19,20)14-5-3-13(4-6-14)22-10-15(17)18/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid?
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid has a molecular weight of 339.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 146121445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).