3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide

C18H26N4O3S — CID 112506527

IUPAC3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N2CCOCC2)c1
InChIInChI=1S/C18H26N4O3S/c1-13-5-4-6-16(11-13)17(22-7-9-25-10-8-22)12-19-26(23,24)18-14(2)20-21-15(18)3/h4-6,11,17,19H,7-10,12H2,1-3H3,(H,20,21)
InChIKeyFAWZUVCWJODFQE-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.69
Rot. Bonds6

About 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 112506527) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
PubChem CID112506527
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N2CCOCC2)c1
InChIInChI=1S/C18H26N4O3S/c1-13-5-4-6-16(11-13)17(22-7-9-25-10-8-22)12-19-26(23,24)18-14(2)20-21-15(18)3/h4-6,11,17,19H,7-10,12H2,1-3H3,(H,20,21)
InChIKeyFAWZUVCWJODFQE-UHFFFAOYSA-N
XLogP1.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 92614256
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115
4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16810191
N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55681813
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide (CID 112506527) is 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide is Cc1cccc(C(CNS(=O)(=O)c2c(C)n[nH]c2C)N2CCOCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FAWZUVCWJODFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13-5-4-6-16(11-13)17(22-7-9-25-10-8-22)12-19-26(23,24)18-14(2)20-21-15(18)3/h4-6,11,17,19H,7-10,12H2,1-3H3,(H,20,21).
What are the key properties of 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112506527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).