N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C21H21N5O3S — CID 30835421

IUPACN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H21N5O3S/c1-14-8-10-16(11-9-14)26-19(12-15(2)24-26)23-20(27)13-25-18-7-5-4-6-17(18)22-21(25)30(3,28)29/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyXXELKHPYSOQEMP-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.88
Rot. Bonds5

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 30835421) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID30835421
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H21N5O3S/c1-14-8-10-16(11-9-14)26-19(12-15(2)24-26)23-20(27)13-25-18-7-5-4-6-17(18)22-21(25)30(3,28)29/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyXXELKHPYSOQEMP-UHFFFAOYSA-N
XLogP2.88
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 35593189
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 18292422
N-(2-chloro-4-nitrophenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835316
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 97337471
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 29426574
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 120760391
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 24572233

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 30835421) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is XXELKHPYSOQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-14-8-10-16(11-9-14)26-19(12-15(2)24-26)23-20(27)13-25-18-7-5-4-6-17(18)22-21(25)30(3,28)29/h4-12H,13H2,1-3H3,(H,23,27).
What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 423.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 30835421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).