4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

C11H13N3O5S2 — CID 146134175

IUPAC4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(C(C)(C)NS(=O)(=O)c2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H13N3O5S2/c1-6-12-10(13-19-6)11(2,3)14-21(17,18)7-4-8(9(15)16)20-5-7/h4-5,14H,1-3H3,(H,15,16)
InChIKeySZGZSHVKAXFDBM-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.35
Rot. Bonds5

About 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 146134175) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID146134175
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(C(C)(C)NS(=O)(=O)c2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H13N3O5S2/c1-6-12-10(13-19-6)11(2,3)14-21(17,18)7-4-8(9(15)16)20-5-7/h4-5,14H,1-3H3,(H,15,16)
InChIKeySZGZSHVKAXFDBM-UHFFFAOYSA-N
XLogP1.35
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106168486
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 65416177
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (CID 146134175) is 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is Cc1nc(C(C)(C)NS(=O)(=O)c2csc(C(=O)O)c2)no1.
What is the InChIKey of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SZGZSHVKAXFDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-6-12-10(13-19-6)11(2,3)14-21(17,18)7-4-8(9(15)16)20-5-7/h4-5,14H,1-3H3,(H,15,16).
What are the key properties of 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 146134175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).