N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

C19H27N5O3S — CID 17024361

IUPACN-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1C
InChIInChI=1S/C19H27N5O3S/c1-14-6-5-7-17(15(14)2)21-19(25)13-23-8-10-24(11-9-23)28(26,27)18-12-20-22(4)16(18)3/h5-7,12H,8-11,13H2,1-4H3,(H,21,25)
InChIKeyKCHWRSAQWDZQSR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.29
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 17024361) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID17024361
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1C
InChIInChI=1S/C19H27N5O3S/c1-14-6-5-7-17(15(14)2)21-19(25)13-23-8-10-24(11-9-23)28(26,27)18-12-20-22(4)16(18)3/h5-7,12H,8-11,13H2,1-4H3,(H,21,25)
InChIKeyKCHWRSAQWDZQSR-UHFFFAOYSA-N
XLogP1.29
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-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-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 8901127
2-(5-(4-(Dimethylamino)phenyl)-3-phenyl-1Hpyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (15)
CID 86766214
N-(2,4-difluorophenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 16009273
N-(3-Cyanophenyl)-3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]propanamide
CID 16027759
3-[3,5-Dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]-N-(4-fluoro-2-methylphenyl)propanamide
CID 16027763
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4883900
[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6470820

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 17024361) is N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is KCHWRSAQWDZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14-6-5-7-17(15(14)2)21-19(25)13-23-8-10-24(11-9-23)28(26,27)18-12-20-22(4)16(18)3/h5-7,12H,8-11,13H2,1-4H3,(H,21,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 17024361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).