[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate

C23H23NO6S — CID 4813561

IUPAC[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)COc3ccccc3C)cc2)cc1
InChIInChI=1S/C23H23NO6S/c1-17-6-4-5-7-22(17)29-16-23(25)30-20-10-8-18(9-11-20)24(2)31(26,27)21-14-12-19(28-3)13-15-21/h4-15H,16H2,1-3H3
InChIKeyIPSLKIXPYSHNBU-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.81
Rot. Bonds8

About [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate

[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate (PubChem CID 4813561) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate
PubChem CID4813561
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)COc3ccccc3C)cc2)cc1
InChIInChI=1S/C23H23NO6S/c1-17-6-4-5-7-22(17)29-16-23(25)30-20-10-8-18(9-11-20)24(2)31(26,27)21-14-12-19(28-3)13-15-21/h4-15H,16H2,1-3H3
InChIKeyIPSLKIXPYSHNBU-UHFFFAOYSA-N
XLogP3.81
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 16550880
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-(3-methylphenoxy)acetate
CID 26203223
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581647
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate (CID 4813561) is [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate is COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)COc3ccccc3C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate?
The InChIKey is IPSLKIXPYSHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-17-6-4-5-7-22(17)29-16-23(25)30-20-10-8-18(9-11-20)24(2)31(26,27)21-14-12-19(28-3)13-15-21/h4-15H,16H2,1-3H3.
What are the key properties of [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate?
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate has a molecular weight of 441.51 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 4813561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).