1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide

C14H18N2O3S — CID 102609515

IUPAC1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
SMILESCCOC1CC(NS(=O)(=O)Cc2ccccc2C#N)C1
InChIInChI=1S/C14H18N2O3S/c1-2-19-14-7-13(8-14)16-20(17,18)10-12-6-4-3-5-11(12)9-15/h3-6,13-14,16H,2,7-8,10H2,1H3
InChIKeyBASWIKXUEKRZBZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.55
Rot. Bonds6

About 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide

1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide (PubChem CID 102609515) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
PubChem CID102609515
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
SMILESCCOC1CC(NS(=O)(=O)Cc2ccccc2C#N)C1
InChIInChI=1S/C14H18N2O3S/c1-2-19-14-7-13(8-14)16-20(17,18)10-12-6-4-3-5-11(12)9-15/h3-6,13-14,16H,2,7-8,10H2,1H3
InChIKeyBASWIKXUEKRZBZ-UHFFFAOYSA-N
XLogP1.55
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609527
1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
CID 80713021
1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63997155
1-(2-cyanophenyl)-N-(1,1-dioxothian-3-yl)methanesulfonamide
CID 63922361
tert-butyl 4-[(2-cyanophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 71629903
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
CID 80720289
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide (CID 102609515) is 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide is CCOC1CC(NS(=O)(=O)Cc2ccccc2C#N)C1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide?
The InChIKey is BASWIKXUEKRZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-19-14-7-13(8-14)16-20(17,18)10-12-6-4-3-5-11(12)9-15/h3-6,13-14,16H,2,7-8,10H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide is sourced from PubChem (CID 102609515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).