N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H22N4O3S2 — CID 55846248

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H22N4O3S2/c29-24(25-15-17-8-12-20(13-9-17)33(30,31)27-18-10-11-18)21-16-28(19-5-2-1-3-6-19)26-23(21)22-7-4-14-32-22/h1-9,12-14,16,18,27H,10-11,15H2,(H,25,29)
InChIKeyPEUZPUBSQCHZFV-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.97
Rot. Bonds8

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55846248) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55846248
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H22N4O3S2/c29-24(25-15-17-8-12-20(13-9-17)33(30,31)27-18-10-11-18)21-16-28(19-5-2-1-3-6-19)26-23(21)22-7-4-14-32-22/h1-9,12-14,16,18,27H,10-11,15H2,(H,25,29)
InChIKeyPEUZPUBSQCHZFV-UHFFFAOYSA-N
XLogP3.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55846880
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
1-benzyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46454982
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846538
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-(2,4-dioxoimidazolidin-1-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 78809218
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55846248) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is PEUZPUBSQCHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c29-24(25-15-17-8-12-20(13-9-17)33(30,31)27-18-10-11-18)21-16-28(19-5-2-1-3-6-19)26-23(21)22-7-4-14-32-22/h1-9,12-14,16,18,27H,10-11,15H2,(H,25,29).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55846248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).