N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide

C14H14N2O3S — CID 168810754

IUPACN-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-12(17)16(11-13-7-5-6-10-15-13)20(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyMDPUVWVLQOEWPA-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.82
Rot. Bonds4

About N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide

N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 168810754) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID168810754
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-12(17)16(11-13-7-5-6-10-15-13)20(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChIKeyMDPUVWVLQOEWPA-UHFFFAOYSA-N
XLogP1.82
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
N-(3-oxo-1-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 54378282
N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
CID 168895048
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
acetic acid;2-ethylpyridine
CID 70072313
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide
CID 67640608

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide (CID 168810754) is N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MDPUVWVLQOEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-12(17)16(11-13-7-5-6-10-15-13)20(18,19)14-8-3-2-4-9-14/h2-10H,11H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 168810754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).