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

C11H17NO5S2 — CID 113477021

IUPAC2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCCOC(C)CNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-3-17-8(2)7-12-19(15,16)11-5-4-9(18-11)6-10(13)14/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyGJOVNBWTTUWMHC-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.08
Rot. Bonds8

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

2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 113477021) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID113477021
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
SMILESCCOC(C)CNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H17NO5S2/c1-3-17-8(2)7-12-19(15,16)11-5-4-9(18-11)6-10(13)14/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyGJOVNBWTTUWMHC-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
2-ethoxypropylsulfamic acid
CID 174221196

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid (CID 113477021) is 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid is CCOC(C)CNS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is GJOVNBWTTUWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-3-17-8(2)7-12-19(15,16)11-5-4-9(18-11)6-10(13)14/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 113477021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).