methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H16N2O6S — CID 62955213

IUPACmethyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-11(15)7-14(8-12(16)20-2)21(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeySGRIMCPJSFNFFY-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.39
Rot. Bonds6

About methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955213) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955213
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Namemethyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-11(15)7-14(8-12(16)20-2)21(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeySGRIMCPJSFNFFY-UHFFFAOYSA-N
XLogP-0.39
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]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 3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61114911
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
CID 18678924
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate
CID 47070251
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
CID 42874720
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 123993867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955213) is methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SGRIMCPJSFNFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-19-11(15)7-14(8-12(16)20-2)21(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,13H2,1-2H3.
What are the key properties of methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 316.34 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).