2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide

C25H23N3O3S — CID 17481913

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1nccc2ccccc12
InChIInChI=1S/C25H23N3O3S/c29-25(27-17-24-23-14-8-7-11-21(23)15-16-26-24)19-28(18-20-9-3-1-4-10-20)32(30,31)22-12-5-2-6-13-22/h1-16H,17-19H2,(H,27,29)
InChIKeySLWKFNJNYZPJLX-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.74
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide (PubChem CID 17481913) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide
PubChem CID17481913
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1nccc2ccccc12
InChIInChI=1S/C25H23N3O3S/c29-25(27-17-24-23-14-8-7-11-21(23)15-16-26-24)19-28(18-20-9-3-1-4-10-20)32(30,31)22-12-5-2-6-13-22/h1-16H,17-19H2,(H,27,29)
InChIKeySLWKFNJNYZPJLX-UHFFFAOYSA-N
XLogP3.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide (CID 17481913) is 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1nccc2ccccc12.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide?
The InChIKey is SLWKFNJNYZPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-25(27-17-24-23-14-8-7-11-21(23)15-16-26-24)19-28(18-20-9-3-1-4-10-20)32(30,31)22-12-5-2-6-13-22/h1-16H,17-19H2,(H,27,29).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(isoquinolin-1-ylmethyl)acetamide is sourced from PubChem (CID 17481913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).