methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate

C18H20N2O5S — CID 50889081

IUPACmethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-6-4-5-7-17(13)20(12-18(22)25-3)26(23,24)16-10-8-15(9-11-16)19-14(2)21/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyMLFBJSUWMISXIU-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.32
Rot. Bonds6

About methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate

methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate (PubChem CID 50889081) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
PubChem CID50889081
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-6-4-5-7-17(13)20(12-18(22)25-3)26(23,24)16-10-8-15(9-11-16)19-14(2)21/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyMLFBJSUWMISXIU-UHFFFAOYSA-N
XLogP2.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)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

methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50889481
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530154
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880137
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
methyl 2-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)acetate
CID 50893640
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methyl-3-nitroanilino)acetate
CID 100500698
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2-methylanilino)acetate
CID 50889568
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate?
The IUPAC name of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate (CID 50889081) is methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate?
The canonical SMILES for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate is COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate?
The InChIKey is MLFBJSUWMISXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-6-4-5-7-17(13)20(12-18(22)25-3)26(23,24)16-10-8-15(9-11-16)19-14(2)21/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate?
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate has a molecular weight of 376.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate is sourced from PubChem (CID 50889081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).