3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C21H24N4O3S — CID 55954530

IUPAC3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C21H24N4O3S/c1-2-12-29(27,28)24-20-9-4-8-19(14-20)21(26)22-15-17-6-3-7-18(13-17)16-25-11-5-10-23-25/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,22,26)
InChIKeyBKXFEEHEEIBJAM-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.01
Rot. Bonds9

About 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55954530) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55954530
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C21H24N4O3S/c1-2-12-29(27,28)24-20-9-4-8-19(14-20)21(26)22-15-17-6-3-7-18(13-17)16-25-11-5-10-23-25/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,22,26)
InChIKeyBKXFEEHEEIBJAM-UHFFFAOYSA-N
XLogP3.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 163312905
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791

Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55954530) is 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is BKXFEEHEEIBJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-12-29(27,28)24-20-9-4-8-19(14-20)21(26)22-15-17-6-3-7-18(13-17)16-25-11-5-10-23-25/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,22,26).
What are the key properties of 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55954530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).