N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide

C16H19N3O3S — CID 113055482

IUPACN-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccccc1)Cc1ccncc1
InChIInChI=1S/C16H19N3O3S/c1-14(20)19(13-15-7-9-17-10-8-15)12-11-18-23(21,22)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
InChIKeyGQCPZLDKFKTXDI-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.41
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide

N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113055482) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113055482
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccccc1)Cc1ccncc1
InChIInChI=1S/C16H19N3O3S/c1-14(20)19(13-15-7-9-17-10-8-15)12-11-18-23(21,22)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
InChIKeyGQCPZLDKFKTXDI-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055521
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
N-[4-[2-[acetyl(pyridin-2-ylmethyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113055265
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113055482) is N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccccc1)Cc1ccncc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GQCPZLDKFKTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-14(20)19(13-15-7-9-17-10-8-15)12-11-18-23(21,22)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3.
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113055482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).