1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide

C14H18N2O3S — CID 107857512

IUPAC1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-8-16(9-10-19-2)20(17,18)12-14-6-4-13(11-15)5-7-14/h3-7H,1,8-10,12H2,2H3
InChIKeyJYQMKSKCVUPOIU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.52
Rot. Bonds8

About 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide

1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 107857512) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
PubChem CID107857512
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-8-16(9-10-19-2)20(17,18)12-14-6-4-13(11-15)5-7-14/h3-7H,1,8-10,12H2,2H3
InChIKeyJYQMKSKCVUPOIU-UHFFFAOYSA-N
XLogP1.52
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61067231
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
CID 82715836
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
5-(aminomethyl)-2-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340767
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide (CID 107857512) is 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide is C=CCN(CCOC)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is JYQMKSKCVUPOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-8-16(9-10-19-2)20(17,18)12-14-6-4-13(11-15)5-7-14/h3-7H,1,8-10,12H2,2H3.
What are the key properties of 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide?
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 107857512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).