2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid

C11H15NO6S2 — CID 43631169

IUPAC2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)O
InChIInChI=1S/C11H15NO6S2/c1-3-4-7(10(13)14)12-20(16,17)8-5-6-19-9(8)11(15)18-2/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyKZVKRLLKOHSKPX-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.07
Rot. Bonds7

About 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid

2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid (PubChem CID 43631169) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
PubChem CID43631169
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)O
InChIInChI=1S/C11H15NO6S2/c1-3-4-7(10(13)14)12-20(16,17)8-5-6-19-9(8)11(15)18-2/h5-7,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyKZVKRLLKOHSKPX-UHFFFAOYSA-N
XLogP1.07
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 47034950
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
(2R)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 107564848
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
CID 71892320
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
CID 43631243
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid (CID 43631169) is 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1ccsc1C(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid?
The InChIKey is KZVKRLLKOHSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-3-4-7(10(13)14)12-20(16,17)8-5-6-19-9(8)11(15)18-2/h5-7,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid?
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid has a molecular weight of 321.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).