methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate

C12H19NO5S2 — CID 78959599

IUPACmethyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO5S2/c1-10-4-5-12(19-10)20(15,16)13(8-9-17-2)7-6-11(14)18-3/h4-5H,6-9H2,1-3H3
InChIKeyBRIJHUQQHGZJTB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.26
Rot. Bonds8

About methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate

methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate (PubChem CID 78959599) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
PubChem CID78959599
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Namemethyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO5S2/c1-10-4-5-12(19-10)20(15,16)13(8-9-17-2)7-6-11(14)18-3/h4-5H,6-9H2,1-3H3
InChIKeyBRIJHUQQHGZJTB-UHFFFAOYSA-N
XLogP1.26
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
N-(2-hydroxyethyl)-5-methyl-N-propylthiophene-2-sulfonamide
CID 61424596
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533331
2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63285665
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 63397238

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate (CID 78959599) is methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate is COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate?
The InChIKey is BRIJHUQQHGZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-10-4-5-12(19-10)20(15,16)13(8-9-17-2)7-6-11(14)18-3/h4-5H,6-9H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate?
methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate has a molecular weight of 321.42 g/mol, XLogP of 1.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate is sourced from PubChem (CID 78959599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).