N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H24N4O3S — CID 55705641

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c1-14-10-11-17(22-21(26)13-19-15(2)23-25(4)16(19)3)12-20(14)24-29(27,28)18-8-6-5-7-9-18/h5-12,24H,13H2,1-4H3,(H,22,26)
InChIKeyXMVLSOLECNKLJE-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.33
Rot. Bonds6

About N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 55705641) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID55705641
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c1-14-10-11-17(22-21(26)13-19-15(2)23-25(4)16(19)3)12-20(14)24-29(27,28)18-8-6-5-7-9-18/h5-12,24H,13H2,1-4H3,(H,22,26)
InChIKeyXMVLSOLECNKLJE-UHFFFAOYSA-N
XLogP3.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(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

N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46465417
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
N-[3-(benzenesulfonamido)phenyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55705965
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55779869
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36928944
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 55705641) is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is XMVLSOLECNKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-10-11-17(22-21(26)13-19-15(2)23-25(4)16(19)3)12-20(14)24-29(27,28)18-8-6-5-7-9-18/h5-12,24H,13H2,1-4H3,(H,22,26).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 55705641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).