2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid

C16H22N2O7S — CID 119185825

IUPAC2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)ccc1OCC(=O)O
InChIInChI=1S/C16H22N2O7S/c1-3-24-14-8-11(4-5-13(14)25-10-15(19)20)16(21)18-7-6-12(9-18)17-26(2,22)23/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyZEMADYKEIKYORE-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.31
Rot. Bonds8

About 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 119185825) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID119185825
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)ccc1OCC(=O)O
InChIInChI=1S/C16H22N2O7S/c1-3-24-14-8-11(4-5-13(14)25-10-15(19)20)16(21)18-7-6-12(9-18)17-26(2,22)23/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyZEMADYKEIKYORE-UHFFFAOYSA-N
XLogP0.31
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 119185825) is 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid is CCOc1cc(C(=O)N2CCC(NS(C)(=O)=O)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is ZEMADYKEIKYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-3-24-14-8-11(4-5-13(14)25-10-15(19)20)16(21)18-7-6-12(9-18)17-26(2,22)23/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 386.43 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[3-(methanesulfonamido)pyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 119185825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).