N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide

C20H23N5O3S — CID 163312905

IUPACN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCS(=O)(=O)NCc1cc(CNC(=O)c2cccc(Cn3cccn3)c2)ccn1
InChIInChI=1S/C20H23N5O3S/c1-2-29(27,28)24-14-19-12-16(7-9-21-19)13-22-20(26)18-6-3-5-17(11-18)15-25-10-4-8-23-25/h3-12,24H,2,13-15H2,1H3,(H,22,26)
InChIKeyJPMGYZKUBUFNAN-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.70
Rot. Bonds9

About N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 163312905) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID163312905
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCS(=O)(=O)NCc1cc(CNC(=O)c2cccc(Cn3cccn3)c2)ccn1
InChIInChI=1S/C20H23N5O3S/c1-2-29(27,28)24-14-19-12-16(7-9-21-19)13-22-20(26)18-6-3-5-17(11-18)15-25-10-4-8-23-25/h3-12,24H,2,13-15H2,1H3,(H,22,26)
InChIKeyJPMGYZKUBUFNAN-UHFFFAOYSA-N
XLogP1.70
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
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-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70786967
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 163312905) is N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide is CCS(=O)(=O)NCc1cc(CNC(=O)c2cccc(Cn3cccn3)c2)ccn1.
What is the InChIKey of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is JPMGYZKUBUFNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-2-29(27,28)24-14-19-12-16(7-9-21-19)13-22-20(26)18-6-3-5-17(11-18)15-25-10-4-8-23-25/h3-12,24H,2,13-15H2,1H3,(H,22,26).
What are the key properties of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 163312905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).