4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

C10H15NO5S2 — CID 62478448

IUPAC4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-7-3-4-9(17-7)18(14,15)11-8(10(12)13)5-6-16-2/h3-4,8,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyOMTIRYVXMAPWLM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds7

About 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 62478448) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID62478448
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCOCCC(NS(=O)(=O)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-7-3-4-9(17-7)18(14,15)11-8(10(12)13)5-6-16-2/h3-4,8,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyOMTIRYVXMAPWLM-UHFFFAOYSA-N
XLogP0.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
2-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478980
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
CID 62479342
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62480757
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678
2-[(4-ethoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478985
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (CID 62478448) is 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is COCCC(NS(=O)(=O)c1ccc(C)s1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is OMTIRYVXMAPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7-3-4-9(17-7)18(14,15)11-8(10(12)13)5-6-16-2/h3-4,8,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 62478448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).