2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C19H25ClN4O3S — CID 55811232

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C19H25ClN4O3S/c1-13-7-8-16(28(26,27)23-9-5-4-6-10-23)11-17(13)21-18(25)12-24-15(3)19(20)14(2)22-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,25)
InChIKeyQGTZLSNPSYWGMY-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55811232) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55811232
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C19H25ClN4O3S/c1-13-7-8-16(28(26,27)23-9-5-4-6-10-23)11-17(13)21-18(25)12-24-15(3)19(20)14(2)22-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,25)
InChIKeyQGTZLSNPSYWGMY-UHFFFAOYSA-N
XLogP3.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55810725
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26012066
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 55811462
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931297
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11940890
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 24529096
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 55811232) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QGTZLSNPSYWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-13-7-8-16(28(26,27)23-9-5-4-6-10-23)11-17(13)21-18(25)12-24-15(3)19(20)14(2)22-24/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,25).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55811232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).