2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid

C9H13NO5S2 — CID 29045889

IUPAC2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCOCCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C9H13NO5S2/c1-15-5-4-10-17(13,14)9-3-2-7(16-9)6-8(11)12/h2-3,10H,4-6H2,1H3,(H,11,12)
InChIKeyUAJOSGVQNUDUDX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.30
Rot. Bonds7

About 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 29045889) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID29045889
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCOCCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C9H13NO5S2/c1-15-5-4-10-17(13,14)9-3-2-7(16-9)6-8(11)12/h2-3,10H,4-6H2,1H3,(H,11,12)
InChIKeyUAJOSGVQNUDUDX-UHFFFAOYSA-N
XLogP0.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 120717360

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid (CID 29045889) is 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid is COCCNS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is UAJOSGVQNUDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-15-5-4-10-17(13,14)9-3-2-7(16-9)6-8(11)12/h2-3,10H,4-6H2,1H3,(H,11,12).
What are the key properties of 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 29045889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).