N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide

C17H20N2O3S — CID 86820820

IUPACN-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C17H20N2O3S/c1-12(2)23(21,22)16-10-5-4-9-15(16)17(20)18-11-14-8-6-7-13(3)19-14/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyKIPFTAXUTARIMM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.50
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide

N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 86820820) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID86820820
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C17H20N2O3S/c1-12(2)23(21,22)16-10-5-4-9-15(16)17(20)18-11-14-8-6-7-13(3)19-14/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyKIPFTAXUTARIMM-UHFFFAOYSA-N
XLogP2.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
2-[[(2-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244990
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
2-(methanesulfonamido)-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820814
2-(ethylamino)-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62510285
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide (CID 86820820) is N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide is Cc1cccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is KIPFTAXUTARIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(2)23(21,22)16-10-5-4-9-15(16)17(20)18-11-14-8-6-7-13(3)19-14/h4-10,12H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide?
N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 86820820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).