methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate

C18H19NO7S — CID 55824099

IUPACmethyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1OC
InChIInChI=1S/C18H19NO7S/c1-12-4-7-14(8-5-12)27(22,23)19-18(21)13-6-9-15(24-2)16(10-13)26-11-17(20)25-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyLOAPQIITVICWRV-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.67
Rot. Bonds7

About methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate (PubChem CID 55824099) has the molecular formula C18H19NO7S and a molecular weight of 393.42 g/mol. Its IUPAC name is methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
PubChem CID55824099
Molecular FormulaC18H19NO7S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Namemethyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1OC
InChIInChI=1S/C18H19NO7S/c1-12-4-7-14(8-5-12)27(22,23)19-18(21)13-6-9-15(24-2)16(10-13)26-11-17(20)25-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyLOAPQIITVICWRV-UHFFFAOYSA-N
XLogP1.67
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate
CID 55770901
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
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N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate (CID 55824099) is methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate is COC(=O)COc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1OC.
What is the InChIKey of methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate?
The InChIKey is LOAPQIITVICWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7S/c1-12-4-7-14(8-5-12)27(22,23)19-18(21)13-6-9-15(24-2)16(10-13)26-11-17(20)25-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate has a molecular weight of 393.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 55824099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).