4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

C13H19NO4S2 — CID 63328331

IUPAC4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H19NO4S2/c1-9-12(7-11(19-9)13(15)16)20(17,18)14-8-10-5-3-2-4-6-10/h7,10,14H,2-6,8H2,1H3,(H,15,16)
InChIKeyPUNFZCKTLDESGH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.61
Rot. Bonds5

About 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 63328331) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID63328331
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H19NO4S2/c1-9-12(7-11(19-9)13(15)16)20(17,18)14-8-10-5-3-2-4-6-10/h7,10,14H,2-6,8H2,1H3,(H,15,16)
InChIKeyPUNFZCKTLDESGH-UHFFFAOYSA-N
XLogP2.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 63328331) is 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is PUNFZCKTLDESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-12(7-11(19-9)13(15)16)20(17,18)14-8-10-5-3-2-4-6-10/h7,10,14H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).