dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate

C15H22N2O6S — CID 164613440

IUPACdipropan-2-yl 2-(4-sulfamoylanilino)propanedioate
SMILESCC(C)OC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)C
InChIInChI=1S/C15H22N2O6S/c1-9(2)22-14(18)13(15(19)23-10(3)4)17-11-5-7-12(8-6-11)24(16,20)21/h5-10,13,17H,1-4H3,(H2,16,20,21)
InChIKeyBHSQJGIHRTYLNT-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.02
Rot. Bonds7

About dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate

dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate (PubChem CID 164613440) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(4-sulfamoylanilino)propanedioate
PubChem CID164613440
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Namedipropan-2-yl 2-(4-sulfamoylanilino)propanedioate
SMILESCC(C)OC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)C
InChIInChI=1S/C15H22N2O6S/c1-9(2)22-14(18)13(15(19)23-10(3)4)17-11-5-7-12(8-6-11)24(16,20)21/h5-10,13,17H,1-4H3,(H2,16,20,21)
InChIKeyBHSQJGIHRTYLNT-UHFFFAOYSA-N
XLogP1.02
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate 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-Phenylamino-malonic acid diethyl ester
CID 299984
methyl N-{[4-(acetylamino)phenyl]sulfonyl}alaninate
CID 3245529
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 3491776
Bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate
CID 164619346
Methyl 4-methoxy-3-oxo-2-(4-sulfamoylanilino)butanoate
CID 164619776
Diethyl 2-(4-sulfamoylanilino)propanedioate
CID 164622445
Dimethyl 2-(4-sulfamoylanilino)propanedioate
CID 164624447
Diethyl 2-[(4-sulfamoylanilino)methylidene]propanedioate
CID 389164
2-(2,6-dimethylmorpholin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2946285
2-[(4-Acetamidophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 3139801
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4840504
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate?
The IUPAC name of dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate (CID 164613440) is dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate.
What is the SMILES notation for dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate?
The canonical SMILES for dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate is CC(C)OC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate?
The InChIKey is BHSQJGIHRTYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-9(2)22-14(18)13(15(19)23-10(3)4)17-11-5-7-12(8-6-11)24(16,20)21/h5-10,13,17H,1-4H3,(H2,16,20,21).
What are the key properties of dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate?
dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate has a molecular weight of 358.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(4-sulfamoylanilino)propanedioate is sourced from PubChem (CID 164613440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).