2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid

C15H23N5O4S2 — CID 19427391

IUPAC2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(-c2nnnn2CC(=O)O)s1
InChIInChI=1S/C15H23N5O4S2/c1-3-5-9-19(10-6-4-2)26(23,24)14-8-7-12(25-14)15-16-17-18-20(15)11-13(21)22/h7-8H,3-6,9-11H2,1-2H3,(H,21,22)
InChIKeyZKTWSLPIICQITA-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.08
Rot. Bonds11

About 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid

2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid (PubChem CID 19427391) has the molecular formula C15H23N5O4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid
PubChem CID19427391
Molecular FormulaC15H23N5O4S2
Molecular Weight401.51 g/mol
Exact Mass401.12
IUPAC Name2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(-c2nnnn2CC(=O)O)s1
InChIInChI=1S/C15H23N5O4S2/c1-3-5-9-19(10-6-4-2)26(23,24)14-8-7-12(25-14)15-16-17-18-20(15)11-13(21)22/h7-8H,3-6,9-11H2,1-2H3,(H,21,22)
InChIKeyZKTWSLPIICQITA-UHFFFAOYSA-N
XLogP2.08
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid (CID 19427391) is 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid is CCCCN(CCCC)S(=O)(=O)c1ccc(-c2nnnn2CC(=O)O)s1.
What is the InChIKey of 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid?
The InChIKey is ZKTWSLPIICQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S2/c1-3-5-9-19(10-6-4-2)26(23,24)14-8-7-12(25-14)15-16-17-18-20(15)11-13(21)22/h7-8H,3-6,9-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid?
2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid has a molecular weight of 401.51 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(dibutylsulfamoyl)thiophen-2-yl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 19427391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).