N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide

C14H17N3O3S — CID 63286913

IUPACN-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H17N3O3S/c1-20-10-9-17(8-4-7-15)21(18,19)12-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,8-10,12H2,1H3
InChIKeyLXQXJGZOHHOQHW-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.25
Rot. Bonds8

About N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide

N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 63286913) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
PubChem CID63286913
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H17N3O3S/c1-20-10-9-17(8-4-7-15)21(18,19)12-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,8-10,12H2,1H3
InChIKeyLXQXJGZOHHOQHW-UHFFFAOYSA-N
XLogP1.25
TPSA94.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
CID 43268883
1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
CID 43588640
1-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)methanesulfonamide
CID 17257633
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)ethanesulfonamide
CID 79578341
2-(2-cyanoethylsulfonylmethyl)benzonitrile
CID 82181556
1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide
CID 103604458
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 29299050
N-(2-cyanoethyl)-N-ethyl-1-phenylmethanesulfonamide
CID 54992479

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide (CID 63286913) is N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide is COCCN(CCC#N)S(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is LXQXJGZOHHOQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-10-9-17(8-4-7-15)21(18,19)12-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,8-10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide?
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 63286913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).