2-(2-thiophen-2-ylethylsulfamoyl)acetic acid

C8H11NO4S2 — CID 28773732

IUPAC2-(2-thiophen-2-ylethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCCc1cccs1
InChIInChI=1S/C8H11NO4S2/c10-8(11)6-15(12,13)9-4-3-7-2-1-5-14-7/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyQMDSXQCFRMHBFZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.29
Rot. Bonds6

About 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid

2-(2-thiophen-2-ylethylsulfamoyl)acetic acid (PubChem CID 28773732) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylsulfamoyl)acetic acid
PubChem CID28773732
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name2-(2-thiophen-2-ylethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCCc1cccs1
InChIInChI=1S/C8H11NO4S2/c10-8(11)6-15(12,13)9-4-3-7-2-1-5-14-7/h1-2,5,9H,3-4,6H2,(H,10,11)
InChIKeyQMDSXQCFRMHBFZ-UHFFFAOYSA-N
XLogP0.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-Chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride
CID 24689074
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135
Thiophenylethylammonium trifluoroacetate
CID 11791335
N-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)methanesulfonamide
CID 18574208
Ethyl 4,4,4-trifluoro-3-(2-thiophen-2-ylethylsulfamoyl)butanoate
CID 121566351
ethyl (3S)-4,4,4-trifluoro-3-(2-thiophen-2-ylethylsulfamoyl)butanoate
CID 124886327
ethyl (3R)-4,4,4-trifluoro-3-(2-thiophen-2-ylethylsulfamoyl)butanoate
CID 124886332
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl fluoride
CID 165461725
2-Thiophen-2-ylethylsulfamic acid
CID 10236136
N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 12991227
(2R)-2-amino-3-(2-amino-1-thiophen-2-ylethyl)sulfanylpropanoic acid
CID 14368264

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid?
The IUPAC name of 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid (CID 28773732) is 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid?
The InChIKey is QMDSXQCFRMHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c10-8(11)6-15(12,13)9-4-3-7-2-1-5-14-7/h1-2,5,9H,3-4,6H2,(H,10,11).
What are the key properties of 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid?
2-(2-thiophen-2-ylethylsulfamoyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylsulfamoyl)acetic acid is sourced from PubChem (CID 28773732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).