methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate

C14H18N2O5S — CID 20708410

IUPACmethyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1ccn2CCNS(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-20-14(17)10-21-13-5-3-4-12-11(13)6-8-16(12)9-7-15-22(2,18)19/h3-6,8,15H,7,9-10H2,1-2H3
InChIKeyFIFWCDDGMSNIMI-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.74
Rot. Bonds7

About methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate

methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate (PubChem CID 20708410) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate
PubChem CID20708410
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namemethyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1ccn2CCNS(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-20-14(17)10-21-13-5-3-4-12-11(13)6-8-16(12)9-7-15-22(2,18)19/h3-6,8,15H,7,9-10H2,1-2H3
InChIKeyFIFWCDDGMSNIMI-UHFFFAOYSA-N
XLogP0.74
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate (CID 20708410) is methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate is COC(=O)COc1cccc2c1ccn2CCNS(C)(=O)=O.
What is the InChIKey of methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate?
The InChIKey is FIFWCDDGMSNIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-20-14(17)10-21-13-5-3-4-12-11(13)6-8-16(12)9-7-15-22(2,18)19/h3-6,8,15H,7,9-10H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate?
methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate has a molecular weight of 326.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(methanesulfonamido)ethyl]indol-4-yl]oxyacetate is sourced from PubChem (CID 20708410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).