2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

C12H15N3O4S2 — CID 104617526

IUPAC2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-7(2)9-6-10(14-13-9)15-21(18,19)12-4-3-8(20-12)5-11(16)17/h3-4,6-7H,5H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyFDGCJJUFLGPBFM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds6

About 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 104617526) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID104617526
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-7(2)9-6-10(14-13-9)15-21(18,19)12-4-3-8(20-12)5-11(16)17/h3-4,6-7H,5H2,1-2H3,(H,16,17)(H2,13,14,15)
InChIKeyFDGCJJUFLGPBFM-UHFFFAOYSA-N
XLogP2.02
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-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

Related Compounds

2-[5-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29269488
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43547665
5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 55259636
2-[5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 61004188
2-[5-(1H-pyrazol-5-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 61393889
2-[5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63820601
3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63821154
3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63821887
4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63822781
5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63822966
3-[(5-ethylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528272
5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxamide
CID 75401346

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 104617526) is 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is CC(C)c1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n[nH]1.
What is the InChIKey of 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is FDGCJJUFLGPBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-7(2)9-6-10(14-13-9)15-21(18,19)12-4-3-8(20-12)5-11(16)17/h3-4,6-7H,5H2,1-2H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 104617526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).