methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate

C18H21NO6S — CID 22304151

IUPACmethyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
SMILESCOC(=O)CNc1cc(OC)cc(S(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C18H21NO6S/c1-12-5-7-14(8-6-12)26(21,22)16-10-13(23-2)9-15(18(16)25-4)19-11-17(20)24-3/h5-10,19H,11H2,1-4H3
InChIKeyJJNOJFIOCFYPGT-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.43
Rot. Bonds7

About methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate

methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate (PubChem CID 22304151) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
PubChem CID22304151
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Namemethyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
SMILESCOC(=O)CNc1cc(OC)cc(S(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C18H21NO6S/c1-12-5-7-14(8-6-12)26(21,22)16-10-13(23-2)9-15(18(16)25-4)19-11-17(20)24-3/h5-10,19H,11H2,1-4H3
InChIKeyJJNOJFIOCFYPGT-UHFFFAOYSA-N
XLogP2.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2,5-dimethoxy-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

N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-[2-methoxy-3-(4-methylphenyl)sulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 22307537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The IUPAC name of methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate (CID 22304151) is methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate.
What is the SMILES notation for methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The canonical SMILES for methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate is COC(=O)CNc1cc(OC)cc(S(=O)(=O)c2ccc(C)cc2)c1OC.
What is the InChIKey of methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
The InChIKey is JJNOJFIOCFYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-12-5-7-14(8-6-12)26(21,22)16-10-13(23-2)9-15(18(16)25-4)19-11-17(20)24-3/h5-10,19H,11H2,1-4H3.
What are the key properties of methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate?
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate has a molecular weight of 379.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate is sourced from PubChem (CID 22304151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).