2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid

C8H11NO5S2 — CID 79457092

IUPAC2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C8H11NO5S2/c10-7(11)6-14-4-3-9-16(12,13)8-2-1-5-15-8/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyOOXCARDYVFCTRO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.13
Rot. Bonds7

About 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid

2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid (PubChem CID 79457092) has the molecular formula C8H11NO5S2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
PubChem CID79457092
Molecular FormulaC8H11NO5S2
Molecular Weight265.31 g/mol
Exact Mass265.01
IUPAC Name2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C8H11NO5S2/c10-7(11)6-14-4-3-9-16(12,13)8-2-1-5-15-8/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyOOXCARDYVFCTRO-UHFFFAOYSA-N
XLogP0.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.13
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

N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
CID 65285268
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid (CID 79457092) is 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid is O=C(O)COCCNS(=O)(=O)c1cccs1.
What is the InChIKey of 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid?
The InChIKey is OOXCARDYVFCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S2/c10-7(11)6-14-4-3-9-16(12,13)8-2-1-5-15-8/h1-2,5,9H,3-4,6H2,(H,10,11).
What are the key properties of 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid?
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).