N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide

C16H15N3O3S — CID 8713182

IUPACN-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O3S/c17-10-14-8-4-5-9-15(14)23(21,22)19-12-16(20)18-11-13-6-2-1-3-7-13/h1-9,19H,11-12H2,(H,18,20)
InChIKeyZZMXPEHCPYTDNL-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.15
Rot. Bonds6

About N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide

N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide (PubChem CID 8713182) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
PubChem CID8713182
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H15N3O3S/c17-10-14-8-4-5-9-15(14)23(21,22)19-12-16(20)18-11-13-6-2-1-3-7-13/h1-9,19H,11-12H2,(H,18,20)
InChIKeyZZMXPEHCPYTDNL-UHFFFAOYSA-N
XLogP1.15
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653296
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
CID 9293998
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9259068
[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937621
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide (CID 8713182) is N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide is N#Cc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The InChIKey is ZZMXPEHCPYTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-10-14-8-4-5-9-15(14)23(21,22)19-12-16(20)18-11-13-6-2-1-3-7-13/h1-9,19H,11-12H2,(H,18,20).
What are the key properties of N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide?
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 8713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).