4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

C11H13N3O4S2 — CID 63328610

IUPAC4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C11H13N3O4S2/c1-8-10(6-9(19-8)11(15)16)20(17,18)13-3-5-14-4-2-12-7-14/h2,4,6-7,13H,3,5H2,1H3,(H,15,16)
InChIKeyXJKIVVFWIIFVHY-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.93
Rot. Bonds6

About 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 63328610) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID63328610
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C11H13N3O4S2/c1-8-10(6-9(19-8)11(15)16)20(17,18)13-3-5-14-4-2-12-7-14/h2,4,6-7,13H,3,5H2,1H3,(H,15,16)
InChIKeyXJKIVVFWIIFVHY-UHFFFAOYSA-N
XLogP0.93
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018063

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 63328610) is 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is XJKIVVFWIIFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-8-10(6-9(19-8)11(15)16)20(17,18)13-3-5-14-4-2-12-7-14/h2,4,6-7,13H,3,5H2,1H3,(H,15,16).
What are the key properties of 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).