2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide

C17H22N4O4S — CID 167785658

IUPAC2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide
SMILESCCC(NC(C)=O)C(=O)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H22N4O4S/c1-5-15(18-13(4)22)17(23)20-26(24,25)16-11(2)19-21(12(16)3)14-9-7-6-8-10-14/h6-10,15H,5H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyRTQQZSUPAYDFTK-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.21
Rot. Bonds6

About 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide

2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide (PubChem CID 167785658) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide
PubChem CID167785658
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide
SMILESCCC(NC(C)=O)C(=O)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H22N4O4S/c1-5-15(18-13(4)22)17(23)20-26(24,25)16-11(2)19-21(12(16)3)14-9-7-6-8-10-14/h6-10,15H,5H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyRTQQZSUPAYDFTK-UHFFFAOYSA-N
XLogP1.21
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22772410
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
butyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22774769
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771888
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide?
The IUPAC name of 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide (CID 167785658) is 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide.
What is the SMILES notation for 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide?
The canonical SMILES for 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide is CCC(NC(C)=O)C(=O)NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide?
The InChIKey is RTQQZSUPAYDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-5-15(18-13(4)22)17(23)20-26(24,25)16-11(2)19-21(12(16)3)14-9-7-6-8-10-14/h6-10,15H,5H2,1-4H3,(H,18,22)(H,20,23).
What are the key properties of 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide?
2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide has a molecular weight of 378.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylbutanamide is sourced from PubChem (CID 167785658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).