N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide

C23H20N2O4S — CID 38263325

IUPACN-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C23H20N2O4S/c1-18(26)21-12-6-7-13-22(21)29-16-15-25(20-10-3-2-4-11-20)30(27,28)23-14-8-5-9-19(23)17-24/h2-14H,15-16H2,1H3
InChIKeyHOKSIKISOCAFDY-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.04
Rot. Bonds8

About N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide

N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide (PubChem CID 38263325) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide
PubChem CID38263325
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide
SMILESCC(=O)c1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C23H20N2O4S/c1-18(26)21-12-6-7-13-22(21)29-16-15-25(20-10-3-2-4-11-20)30(27,28)23-14-8-5-9-19(23)17-24/h2-14H,15-16H2,1H3
InChIKeyHOKSIKISOCAFDY-UHFFFAOYSA-N
XLogP4.04
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
CID 111544031
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide
CID 25468270
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide (CID 38263325) is N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide is CC(=O)c1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide?
The InChIKey is HOKSIKISOCAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-18(26)21-12-6-7-13-22(21)29-16-15-25(20-10-3-2-4-11-20)30(27,28)23-14-8-5-9-19(23)17-24/h2-14H,15-16H2,1H3.
What are the key properties of N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide?
N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide is sourced from PubChem (CID 38263325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).