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

C22H20N4O3S2 — CID 67173926

IUPACN-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C22H20N4O3S2/c1-15-6-3-4-7-20(15)26-22(14-19(24-26)21-8-5-13-30-21)25-31(28,29)18-11-9-17(10-12-18)23-16(2)27/h3-14,25H,1-2H3,(H,23,27)
InChIKeyARBVHJODSULDHN-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.67
Rot. Bonds6

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

N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 67173926) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
PubChem CID67173926
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC NameN-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C22H20N4O3S2/c1-15-6-3-4-7-20(15)26-22(14-19(24-26)21-8-5-13-30-21)25-31(28,29)18-11-9-17(10-12-18)23-16(2)27/h3-14,25H,1-2H3,(H,23,27)
InChIKeyARBVHJODSULDHN-UHFFFAOYSA-N
XLogP4.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
CID 67173775
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
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-[5-[(4-butylphenyl)sulfonylamino]-1-(2-methylphenyl)pyrazol-3-yl]phenyl] acetate
CID 67174220
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
N-[4-(imidazo[1,2-a]pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 76848931
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
N-[4-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 71793744
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide (CID 67173926) is N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2C)cc1.
What is the InChIKey of N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is ARBVHJODSULDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-15-6-3-4-7-20(15)26-22(14-19(24-26)21-8-5-13-30-21)25-31(28,29)18-11-9-17(10-12-18)23-16(2)27/h3-14,25H,1-2H3,(H,23,27).
What are the key properties of N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 67173926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).