4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide

C16H20N4O4S — CID 9152515

IUPAC4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N4O4S/c1-10-15(11(2)20(3)19-10)18-14(21)9-17-16(22)12-5-7-13(8-6-12)25(4,23)24/h5-8H,9H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyYFEZHEQSQMVAQI-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.81
Rot. Bonds5

About 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide

4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide (PubChem CID 9152515) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
PubChem CID9152515
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N4O4S/c1-10-15(11(2)20(3)19-10)18-14(21)9-17-16(22)12-5-7-13(8-6-12)25(4,23)24/h5-8H,9H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyYFEZHEQSQMVAQI-UHFFFAOYSA-N
XLogP0.81
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide 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

4-ethoxy-3-nitro-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9153012
2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9152681
2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 126817804
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 692973
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8749560
N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide
CID 9480838
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide (CID 9152515) is 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The InChIKey is YFEZHEQSQMVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-10-15(11(2)20(3)19-10)18-14(21)9-17-16(22)12-5-7-13(8-6-12)25(4,23)24/h5-8H,9H2,1-4H3,(H,17,22)(H,18,21).
What are the key properties of 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 9152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).