[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate

C22H19N3O4S2 — CID 67173775

IUPAC[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C22H19N3O4S2/c1-15-6-3-4-7-20(15)25-22(14-19(23-25)21-8-5-13-30-21)24-31(27,28)18-11-9-17(10-12-18)29-16(2)26/h3-14,24H,1-2H3
InChIKeyWNBMQTBMEXLOMP-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.64
Rot. Bonds6

About [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate

[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate (PubChem CID 67173775) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
PubChem CID67173775
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C22H19N3O4S2/c1-15-6-3-4-7-20(15)25-22(14-19(23-25)21-8-5-13-30-21)24-31(27,28)18-11-9-17(10-12-18)29-16(2)26/h3-14,24H,1-2H3
InChIKeyWNBMQTBMEXLOMP-UHFFFAOYSA-N
XLogP4.64
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate 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

N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
[4-[5-[(4-butylphenyl)sulfonylamino]-1-(2-methylphenyl)pyrazol-3-yl]phenyl] acetate
CID 67174220
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173092
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
(4-thiophen-2-ylphenyl) acetate
CID 18387761
4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 67174375
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate?
The IUPAC name of [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate (CID 67173775) is [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate?
The canonical SMILES for [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate is CC(=O)Oc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1.
What is the InChIKey of [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate?
The InChIKey is WNBMQTBMEXLOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-15-6-3-4-7-20(15)25-22(14-19(23-25)21-8-5-13-30-21)24-31(27,28)18-11-9-17(10-12-18)29-16(2)26/h3-14,24H,1-2H3.
What are the key properties of [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate?
[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate has a molecular weight of 453.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate is sourced from PubChem (CID 67173775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).