4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C14H23NO4S2 — CID 63328820

IUPAC4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C14H23NO4S2/c1-5-7-8-15(10(3)6-2)21(18,19)13-9-12(14(16)17)20-11(13)4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyOMZKDRPWSLFOPH-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.34
Rot. Bonds8

About 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328820) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328820
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Name4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C14H23NO4S2/c1-5-7-8-15(10(3)6-2)21(18,19)13-9-12(14(16)17)20-11(13)4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyOMZKDRPWSLFOPH-UHFFFAOYSA-N
XLogP3.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328820) is 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is CCCCN(C(C)CC)S(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is OMZKDRPWSLFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-5-7-8-15(10(3)6-2)21(18,19)13-9-12(14(16)17)20-11(13)4/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 333.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).