1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide

C19H27N3O4S — CID 16896663

IUPAC1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)COc2ccc(C)cc2C)c1C
InChIInChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)19-15(5)20-22(16(19)6)18(23)12-26-17-10-9-13(3)11-14(17)4/h9-11H,7-8,12H2,1-6H3
InChIKeyIOHHWRNXAFANTC-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.87
Rot. Bonds7

About 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide

1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 16896663) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID16896663
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)COc2ccc(C)cc2C)c1C
InChIInChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)19-15(5)20-22(16(19)6)18(23)12-26-17-10-9-13(3)11-14(17)4/h9-11H,7-8,12H2,1-6H3
InChIKeyIOHHWRNXAFANTC-UHFFFAOYSA-N
XLogP2.87
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
CID 18565362
3-(2,4-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 94281950
N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide
CID 27638160
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 16896663) is 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)COc2ccc(C)cc2C)c1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is IOHHWRNXAFANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)19-15(5)20-22(16(19)6)18(23)12-26-17-10-9-13(3)11-14(17)4/h9-11H,7-8,12H2,1-6H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide?
1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16896663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).