2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide

C18H26N4O3S — CID 8009619

IUPAC2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCc2ccccc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N4O3S/c1-14-18(26(24,25)21(3)4)15(2)22(20-14)13-17(23)19-12-8-11-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,19,23)
InChIKeyFHLNEBYKEHGVCS-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.50
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 8009619) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID8009619
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCCCc2ccccc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N4O3S/c1-14-18(26(24,25)21(3)4)15(2)22(20-14)13-17(23)19-12-8-11-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,19,23)
InChIKeyFHLNEBYKEHGVCS-UHFFFAOYSA-N
XLogP1.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869523
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
CID 118398387
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79756144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide (CID 8009619) is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide is Cc1nn(CC(=O)NCCCc2ccccc2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is FHLNEBYKEHGVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-18(26(24,25)21(3)4)15(2)22(20-14)13-17(23)19-12-8-11-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,19,23).
What are the key properties of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 8009619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).