N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide

C24H26ClN3O4S — CID 51065169

IUPACN-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-16(2)17-5-9-21(10-6-17)32-14-24(29)26-23-13-22(18-3-7-19(25)8-4-18)27-28(23)20-11-12-33(30,31)15-20/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,26,29)
InChIKeyHBHXNMHAGAZMAC-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.70
Rot. Bonds7

About N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 51065169) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID51065169
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-16(2)17-5-9-21(10-6-17)32-14-24(29)26-23-13-22(18-3-7-19(25)8-4-18)27-28(23)20-11-12-33(30,31)15-20/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,26,29)
InChIKeyHBHXNMHAGAZMAC-UHFFFAOYSA-N
XLogP4.70
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide 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-(4-chlorophenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 56729335
2-(3,4-dimethylphenoxy)-N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-(2-methylpropoxy)phenyl]pyrazol-5-yl]acetamide
CID 96564827
2-(3,4-dimethylphenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 51065230
2-(2,4-dichlorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 45283901
N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 18146956
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55571747
N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 27543096
N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(3-fluorophenoxy)acetamide
CID 18158700
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide
CID 42175137
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 95859500

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 51065169) is N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is HBHXNMHAGAZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-16(2)17-5-9-21(10-6-17)32-14-24(29)26-23-13-22(18-3-7-19(25)8-4-18)27-28(23)20-11-12-33(30,31)15-20/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 488.01 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 51065169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).