N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide

C25H27N4O6PS2 — CID 171345118

IUPACN-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide
SMILESCCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C25H27N4O6PS2/c1-3-34-36(31,35-4-2)25(18-8-6-5-7-9-18)27-24(30)22-16-23(19-14-15-37-17-19)29(28-22)20-10-12-21(13-11-20)38(26,32)33/h5-17,25H,3-4H2,1-2H3,(H,27,30)(H2,26,32,33)
InChIKeyBAPPNNLRYSTWQE-UHFFFAOYSA-N
MW574.62 g/mol
LogP4.94
Rot. Bonds11

About N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide

N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide (PubChem CID 171345118) has the molecular formula C25H27N4O6PS2 and a molecular weight of 574.62 g/mol. Its IUPAC name is N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide
PubChem CID171345118
Molecular FormulaC25H27N4O6PS2
Molecular Weight574.62 g/mol
Exact Mass574.11
IUPAC NameN-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide
SMILESCCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1
InChIInChI=1S/C25H27N4O6PS2/c1-3-34-36(31,35-4-2)25(18-8-6-5-7-9-18)27-24(30)22-16-23(19-14-15-37-17-19)29(28-22)20-10-12-21(13-11-20)38(26,32)33/h5-17,25H,3-4H2,1-2H3,(H,27,30)(H2,26,32,33)
InChIKeyBAPPNNLRYSTWQE-UHFFFAOYSA-N
XLogP4.94
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.62
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide 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-[diethoxyphosphoryl(phenyl)methyl]-5-(2-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 171350670
N-methyl-N-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanamide
CID 67663106
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
CID 22316990
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
bis[(4-bromophenyl)-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]methoxy]-oxophosphanium
CID 175018714
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 15908398
bis[(4-bromophenyl)-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]methoxy]-oxophosphanium
CID 175023474

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide (CID 171345118) is N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide is CCOP(=O)(OCC)C(NC(=O)c1cc(-c2ccsc2)n(-c2ccc(S(N)(=O)=O)cc2)n1)c1ccccc1.
What is the InChIKey of N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The InChIKey is BAPPNNLRYSTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N4O6PS2/c1-3-34-36(31,35-4-2)25(18-8-6-5-7-9-18)27-24(30)22-16-23(19-14-15-37-17-19)29(28-22)20-10-12-21(13-11-20)38(26,32)33/h5-17,25H,3-4H2,1-2H3,(H,27,30)(H2,26,32,33).
What are the key properties of N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide has a molecular weight of 574.62 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 171345118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).