N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

C20H22N4O3S — CID 24646854

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C20H22N4O3S/c1-15-8-10-17(12-19(15)28(26,27)21-2)23-20(25)11-9-16-13-22-24(14-16)18-6-4-3-5-7-18/h3-8,10,12-14,21H,9,11H2,1-2H3,(H,23,25)
InChIKeyROJGNSVRULDGFR-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.66
Rot. Bonds7

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 24646854) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID24646854
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1C
InChIInChI=1S/C20H22N4O3S/c1-15-8-10-17(12-19(15)28(26,27)21-2)23-20(25)11-9-16-13-22-24(14-16)18-6-4-3-5-7-18/h3-8,10,12-14,21H,9,11H2,1-2H3,(H,23,25)
InChIKeyROJGNSVRULDGFR-UHFFFAOYSA-N
XLogP2.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 9016360
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 24646854) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is CNS(=O)(=O)c1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is ROJGNSVRULDGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-8-10-17(12-19(15)28(26,27)21-2)23-20(25)11-9-16-13-22-24(14-16)18-6-4-3-5-7-18/h3-8,10,12-14,21H,9,11H2,1-2H3,(H,23,25).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24646854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).