ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate

C13H18N2O5S — CID 110287709

IUPACethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O5S/c1-3-20-13(17)12(16)14-9-10-21(18,19)15(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyHFXJJVOAVMDHDD-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.13
Rot. Bonds6

About ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate

ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate (PubChem CID 110287709) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
PubChem CID110287709
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O5S/c1-3-20-13(17)12(16)14-9-10-21(18,19)15(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyHFXJJVOAVMDHDD-UHFFFAOYSA-N
XLogP0.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
CID 110626723
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110626756
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
N-(4-ethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342993
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate (CID 110287709) is ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCS(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate?
The InChIKey is HFXJJVOAVMDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-3-20-13(17)12(16)14-9-10-21(18,19)15(2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate?
ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate has a molecular weight of 314.36 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate is sourced from PubChem (CID 110287709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).