methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate

C12H14N2O5S — CID 61458467

IUPACmethyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H14N2O5S/c1-9(12(15)18-2)20(16,17)14-10-3-5-11(6-4-10)19-8-7-13/h3-6,9,14H,8H2,1-2H3
InChIKeyMVYSSFVZBVVYCG-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.89
Rot. Bonds6

About methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate

methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate (PubChem CID 61458467) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
PubChem CID61458467
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Namemethyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C12H14N2O5S/c1-9(12(15)18-2)20(16,17)14-10-3-5-11(6-4-10)19-8-7-13/h3-6,9,14H,8H2,1-2H3
InChIKeyMVYSSFVZBVVYCG-UHFFFAOYSA-N
XLogP0.89
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate 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-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
methyl 2-[1-[4-(cyanomethoxy)phenyl]ethylamino]-3-methylbutanoate
CID 60781566
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-[4-[1-(3-methylpyrazin-2-yl)ethylamino]phenoxy]acetonitrile
CID 102613239
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate?
The IUPAC name of methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate (CID 61458467) is methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate?
The InChIKey is MVYSSFVZBVVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-9(12(15)18-2)20(16,17)14-10-3-5-11(6-4-10)19-8-7-13/h3-6,9,14H,8H2,1-2H3.
What are the key properties of methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate?
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate has a molecular weight of 298.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate is sourced from PubChem (CID 61458467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).