methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate

C18H21NO5S — CID 22304005

IUPACmethyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
SMILESCCOc1c(NCC(=O)OC)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO5S/c1-4-24-18-15(19-12-17(20)23-3)6-5-7-16(18)25(21,22)14-10-8-13(2)9-11-14/h5-11,19H,4,12H2,1-3H3
InChIKeyKNQVCJVHAYOENS-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.81
Rot. Bonds7

About methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate

methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate (PubChem CID 22304005) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
PubChem CID22304005
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
SMILESCCOc1c(NCC(=O)OC)cccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO5S/c1-4-24-18-15(19-12-17(20)23-3)6-5-7-16(18)25(21,22)14-10-8-13(2)9-11-14/h5-11,19H,4,12H2,1-3H3
InChIKeyKNQVCJVHAYOENS-UHFFFAOYSA-N
XLogP2.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
CID 22304312
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 22307537
2-(2-ethoxy-3-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 22304144
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304114
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[3-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 22307419
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate
CID 46506951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The IUPAC name of methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate (CID 22304005) is methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate.
What is the SMILES notation for methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The canonical SMILES for methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate is CCOc1c(NCC(=O)OC)cccc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The InChIKey is KNQVCJVHAYOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-4-24-18-15(19-12-17(20)23-3)6-5-7-16(18)25(21,22)14-10-8-13(2)9-11-14/h5-11,19H,4,12H2,1-3H3.
What are the key properties of methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate has a molecular weight of 363.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate is sourced from PubChem (CID 22304005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).