N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide

C15H19N3O3S — CID 70638199

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-10-12(2)18(17-11)22(20,21)15-6-4-14(5-7-15)8-9-16-13(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyHOLFHWKENKOAMP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.42
Rot. Bonds5

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

N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide (PubChem CID 70638199) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
PubChem CID70638199
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-10-12(2)18(17-11)22(20,21)15-6-4-14(5-7-15)8-9-16-13(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyHOLFHWKENKOAMP-UHFFFAOYSA-N
XLogP1.42
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
1-(4-butan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 19683528
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 3655474
N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
CID 70638448
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111613561
N-[2-[4-(3-tert-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
CID 163606352
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 39730131

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide (CID 70638199) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide?
The InChIKey is HOLFHWKENKOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-10-12(2)18(17-11)22(20,21)15-6-4-14(5-7-15)8-9-16-13(3)19/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide is sourced from PubChem (CID 70638199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).