N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide

C15H26N4O4S — CID 8901104

IUPACN-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C15H26N4O4S/c1-4-5-6-16-14(20)11-19-13(3)15(12(2)17-19)24(21,22)18-7-9-23-10-8-18/h4-11H2,1-3H3,(H,16,20)
InChIKeyOZGIKHTVBIVWNR-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.44
Rot. Bonds7

About N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide

N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide (PubChem CID 8901104) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
PubChem CID8901104
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC NameN-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C15H26N4O4S/c1-4-5-6-16-14(20)11-19-13(3)15(12(2)17-19)24(21,22)18-7-9-23-10-8-18/h4-11H2,1-3H3,(H,16,20)
InChIKeyOZGIKHTVBIVWNR-UHFFFAOYSA-N
XLogP0.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
CID 8901194
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16277665
N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8901144
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide
CID 9110830
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
ethyl 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
CID 3245520
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16274436
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N,N-diethylacetamide
CID 8009596
2-(3,5-Dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 8890923
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 8898142

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide (CID 8901104) is N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide is CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The InChIKey is OZGIKHTVBIVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-4-5-6-16-14(20)11-19-13(3)15(12(2)17-19)24(21,22)18-7-9-23-10-8-18/h4-11H2,1-3H3,(H,16,20).
What are the key properties of N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide is sourced from PubChem (CID 8901104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).