N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide

C15H19N3O3S — CID 154869040

IUPACN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(C)C(=O)NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C15H19N3O3S/c1-10-7-5-6-8-13(10)12(3)14(19)17-22(20,21)15-11(2)9-16-18(15)4/h5-9,12H,1-4H3,(H,17,19)
InChIKeyPHWAZGQRIXAJPA-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.65
Rot. Bonds4

About N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide

N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide (PubChem CID 154869040) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
PubChem CID154869040
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(C)C(=O)NS(=O)(=O)c1c(C)cnn1C
InChIInChI=1S/C15H19N3O3S/c1-10-7-5-6-8-13(10)12(3)14(19)17-22(20,21)15-11(2)9-16-18(15)4/h5-9,12H,1-4H3,(H,17,19)
InChIKeyPHWAZGQRIXAJPA-UHFFFAOYSA-N
XLogP1.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)sulfonyl]-2-(2-methylphenyl)propanamide
CID 154869021
N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide
CID 154869028
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide
CID 154869043
N-(2-chloro-3-methylimidazol-4-yl)sulfonyl-2-(2-chlorophenyl)propanamide
CID 167743673
2-[[(1,4-dimethylpyrazol-5-yl)sulfonylamino]methyl]-3-pyridin-2-ylpropanoic acid
CID 136541721
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
2-(4-chloro-3-methylphenyl)-2-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]acetic acid
CID 136541725
4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 120968707
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide
CID 136572184
2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 154780665

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide?
The IUPAC name of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide (CID 154869040) is N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide is Cc1ccccc1C(C)C(=O)NS(=O)(=O)c1c(C)cnn1C.
What is the InChIKey of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide?
The InChIKey is PHWAZGQRIXAJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-7-5-6-8-13(10)12(3)14(19)17-22(20,21)15-11(2)9-16-18(15)4/h5-9,12H,1-4H3,(H,17,19).
What are the key properties of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide?
N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide has a molecular weight of 321.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide is sourced from PubChem (CID 154869040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).