methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate

C12H17NO5S — CID 54937802

IUPACmethyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H17NO5S/c1-8-7-10(5-6-11(8)17-3)19(15,16)13-9(2)12(14)18-4/h5-7,9,13H,1-4H3
InChIKeyHHLVMTNMIGGGPV-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate

methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate (PubChem CID 54937802) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
PubChem CID54937802
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H17NO5S/c1-8-7-10(5-6-11(8)17-3)19(15,16)13-9(2)12(14)18-4/h5-7,9,13H,1-4H3
InChIKeyHHLVMTNMIGGGPV-UHFFFAOYSA-N
XLogP0.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 95981916
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
methyl 2-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoate
CID 60639260
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
methyl 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]propanoate
CID 54959326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate (CID 54937802) is methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate?
The InChIKey is HHLVMTNMIGGGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8-7-10(5-6-11(8)17-3)19(15,16)13-9(2)12(14)18-4/h5-7,9,13H,1-4H3.
What are the key properties of methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate?
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate has a molecular weight of 287.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 54937802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).