methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate

C19H22N2O7S — CID 55776713

IUPACmethyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-26-17-10-13(8-9-16(17)28-12-18(22)27-2)19(23)20-11-14-6-4-5-7-15(14)21-29(3,24)25/h4-10,21H,11-12H2,1-3H3,(H,20,23)
InChIKeyJHGIQTDUBMHLLR-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.55
Rot. Bonds9

About methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55776713) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55776713
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Namemethyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-26-17-10-13(8-9-16(17)28-12-18(22)27-2)19(23)20-11-14-6-4-5-7-15(14)21-29(3,24)25/h4-10,21H,11-12H2,1-3H3,(H,20,23)
InChIKeyJHGIQTDUBMHLLR-UHFFFAOYSA-N
XLogP1.55
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
CID 55778080
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55723806
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78875776
N-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 55711111
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate (CID 55776713) is methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1OC.
What is the InChIKey of methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is JHGIQTDUBMHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-26-17-10-13(8-9-16(17)28-12-18(22)27-2)19(23)20-11-14-6-4-5-7-15(14)21-29(3,24)25/h4-10,21H,11-12H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 422.46 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55776713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).