methyl 4-oxo-4-(4-sulfamoylanilino)butanoate

C11H14N2O5S — CID 721949

IUPACmethyl 4-oxo-4-(4-sulfamoylanilino)butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-18-11(15)7-6-10(14)13-8-2-4-9(5-3-8)19(12,16)17/h2-5H,6-7H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyMTKQNEFREWGOAG-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.23
Rot. Bonds5

About methyl 4-oxo-4-(4-sulfamoylanilino)butanoate

methyl 4-oxo-4-(4-sulfamoylanilino)butanoate (PubChem CID 721949) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 4-oxo-4-(4-sulfamoylanilino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(4-sulfamoylanilino)butanoate
PubChem CID721949
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Namemethyl 4-oxo-4-(4-sulfamoylanilino)butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-18-11(15)7-6-10(14)13-8-2-4-9(5-3-8)19(12,16)17/h2-5H,6-7H2,1H3,(H,13,14)(H2,12,16,17)
InChIKeyMTKQNEFREWGOAG-UHFFFAOYSA-N
XLogP0.23
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-oxo-4-(4-sulfamoylanilino)butanoate 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

3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(4-sulfamoylanilino)butanoate?
The IUPAC name of methyl 4-oxo-4-(4-sulfamoylanilino)butanoate (CID 721949) is methyl 4-oxo-4-(4-sulfamoylanilino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(4-sulfamoylanilino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(4-sulfamoylanilino)butanoate is COC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 4-oxo-4-(4-sulfamoylanilino)butanoate?
The InChIKey is MTKQNEFREWGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-18-11(15)7-6-10(14)13-8-2-4-9(5-3-8)19(12,16)17/h2-5H,6-7H2,1H3,(H,13,14)(H2,12,16,17).
What are the key properties of methyl 4-oxo-4-(4-sulfamoylanilino)butanoate?
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate has a molecular weight of 286.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(4-sulfamoylanilino)butanoate is sourced from PubChem (CID 721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).