[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C18H21N3O7S2 — CID 40782377

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21N3O7S2/c1-13-3-7-16(8-4-13)30(26,27)21(2)11-18(23)28-12-17(22)20-14-5-9-15(10-6-14)29(19,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyGMJDXIVHKJHLAD-UHFFFAOYSA-N
MW455.51 g/mol
LogP0.44
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 40782377) has the molecular formula C18H21N3O7S2 and a molecular weight of 455.51 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID40782377
Molecular FormulaC18H21N3O7S2
Molecular Weight455.51 g/mol
Exact Mass455.08
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21N3O7S2/c1-13-3-7-16(8-4-13)30(26,27)21(2)11-18(23)28-12-17(22)20-14-5-9-15(10-6-14)29(19,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyGMJDXIVHKJHLAD-UHFFFAOYSA-N
XLogP0.44
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]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 4-[[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]oxyacetyl]amino]benzoate
CID 40782403
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7169612
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7169781
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24669701
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
[2-(4-methylphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2339654
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 3409640
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 40782377) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is GMJDXIVHKJHLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7S2/c1-13-3-7-16(8-4-13)30(26,27)21(2)11-18(23)28-12-17(22)20-14-5-9-15(10-6-14)29(19,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)(H2,19,24,25).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 455.51 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 40782377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).