N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C22H25N3O3S — CID 11640195

IUPACN-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCCCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-4-8-18-11-13-21(14-12-18)29(27,28)24-22(26)16-20-15-17(2)23-25(20)19-9-6-5-7-10-19/h5-7,9-15H,3-4,8,16H2,1-2H3,(H,24,26)
InChIKeyZBKXEAXHYDVNEK-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.57
Rot. Bonds8

About N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 11640195) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID11640195
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCCCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-4-8-18-11-13-21(14-12-18)29(27,28)24-22(26)16-20-15-17(2)23-25(20)19-9-6-5-7-10-19/h5-7,9-15H,3-4,8,16H2,1-2H3,(H,24,26)
InChIKeyZBKXEAXHYDVNEK-UHFFFAOYSA-N
XLogP3.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 11545489
2-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 11517452
N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 87894255
2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 90775429
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 173186264
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 17301213
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
[4-[5-[(4-butylphenyl)sulfonylamino]-1-(2-methylphenyl)pyrazol-3-yl]phenyl] acetate
CID 67174220

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 11640195) is N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is CCCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is ZBKXEAXHYDVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-4-8-18-11-13-21(14-12-18)29(27,28)24-22(26)16-20-15-17(2)23-25(20)19-9-6-5-7-10-19/h5-7,9-15H,3-4,8,16H2,1-2H3,(H,24,26).
What are the key properties of N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 11640195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).