2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O3S — CID 126817804

IUPAC2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H21N3O3S/c1-10-6-7-14(8-11(10)2)23(21,22)9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyOIUJWZTVJZCEJC-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.07
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 126817804) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID126817804
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H21N3O3S/c1-10-6-7-14(8-11(10)2)23(21,22)9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyOIUJWZTVJZCEJC-UHFFFAOYSA-N
XLogP2.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide 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

2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9152515
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9152681
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37244507
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 126817804) is 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2c(C)nn(C)c2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is OIUJWZTVJZCEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-6-7-14(8-11(10)2)23(21,22)9-15(20)17-16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 126817804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).