2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid

C12H13NO5S2 — CID 60681336

IUPAC2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCc2ccco2)s1
InChIInChI=1S/C12H13NO5S2/c14-11(15)8-10-3-4-12(19-10)20(16,17)13-6-5-9-2-1-7-18-9/h1-4,7,13H,5-6,8H2,(H,14,15)
InChIKeyKGUYTQCAVCGQPE-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.49
Rot. Bonds7

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

2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 60681336) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID60681336
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCc2ccco2)s1
InChIInChI=1S/C12H13NO5S2/c14-11(15)8-10-3-4-12(19-10)20(16,17)13-6-5-9-2-1-7-18-9/h1-4,7,13H,5-6,8H2,(H,14,15)
InChIKeyKGUYTQCAVCGQPE-UHFFFAOYSA-N
XLogP1.49
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
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-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
CID 63743675
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
N-[2-(furan-2-yl)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731327
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid (CID 60681336) is 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCCc2ccco2)s1.
What is the InChIKey of 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is KGUYTQCAVCGQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c14-11(15)8-10-3-4-12(19-10)20(16,17)13-6-5-9-2-1-7-18-9/h1-4,7,13H,5-6,8H2,(H,14,15).
What are the key properties of 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 60681336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).