N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide

C17H23ClN4O3S — CID 50794675

IUPACN-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23ClN4O3S/c1-11-14(18)7-6-8-15(11)19-16(23)9-10-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-8H,9-10H2,1-5H3,(H,19,23)
InChIKeyPQTMOXQDLWEFMM-UHFFFAOYSA-N
MW398.92 g/mol
LogP2.74
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide (PubChem CID 50794675) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
PubChem CID50794675
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23ClN4O3S/c1-11-14(18)7-6-8-15(11)19-16(23)9-10-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-8H,9-10H2,1-5H3,(H,19,23)
InChIKeyPQTMOXQDLWEFMM-UHFFFAOYSA-N
XLogP2.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide 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-(4-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794695
N-(3-chloro-4-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794676
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50794645
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 50794639
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide (CID 50794675) is N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide is Cc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
The InChIKey is PQTMOXQDLWEFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-11-14(18)7-6-8-15(11)19-16(23)9-10-22-13(3)17(12(2)20-22)26(24,25)21(4)5/h6-8H,9-10H2,1-5H3,(H,19,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide has a molecular weight of 398.92 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide is sourced from PubChem (CID 50794675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).