N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide

C18H18N2O4S — CID 26682548

IUPACN-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O4S/c1-25(22,23)20-11-10-14-2-6-16(7-3-14)18(21)13-24-17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3
InChIKeyKUZLBRWYARNCGX-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.91
Rot. Bonds8

About N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide

N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide (PubChem CID 26682548) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
PubChem CID26682548
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2O4S/c1-25(22,23)20-11-10-14-2-6-16(7-3-14)18(21)13-24-17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3
InChIKeyKUZLBRWYARNCGX-UHFFFAOYSA-N
XLogP1.91
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
CID 7670213
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
3-[4-[2-(4-cyanophenyl)-2-oxoethoxy]phenyl]propanoic acid;oxamic acid
CID 143975031
methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]phenoxy]acetate
CID 10315069
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7818621
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
4-[2-(1-methylpyrrol-3-yl)-2-oxoethoxy]benzonitrile
CID 31411184
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 18113163
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55448516
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide (CID 26682548) is N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is KUZLBRWYARNCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-25(22,23)20-11-10-14-2-6-16(7-3-14)18(21)13-24-17-8-4-15(12-19)5-9-17/h2-9,20H,10-11,13H2,1H3.
What are the key properties of N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide?
N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 26682548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).