(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide

C18H28N2O3S — CID 90607235

IUPAC(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(CCN(C)C)C2CCOCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-16-4-6-17(7-5-16)10-15-24(21,22)20(12-11-19(2)3)18-8-13-23-14-9-18/h4-7,10,15,18H,8-9,11-14H2,1-3H3/b15-10+
InChIKeySQFVKZMWJUKLNY-XNTDXEJSSA-N
MW352.50 g/mol
LogP2.34
Rot. Bonds7

About (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide

(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide (PubChem CID 90607235) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide
PubChem CID90607235
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(CCN(C)C)C2CCOCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-16-4-6-17(7-5-16)10-15-24(21,22)20(12-11-19(2)3)18-8-13-23-14-9-18/h4-7,10,15,18H,8-9,11-14H2,1-3H3/b15-10+
InChIKeySQFVKZMWJUKLNY-XNTDXEJSSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607179
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607203
(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 134028181
3-[3-(4-methylphenyl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126781002
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)prop-2-enamide
CID 90607056
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
CID 26531291
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide (CID 90607235) is (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)N(CCN(C)C)C2CCOCC2)cc1.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide?
The InChIKey is SQFVKZMWJUKLNY-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-16-4-6-17(7-5-16)10-15-24(21,22)20(12-11-19(2)3)18-8-13-23-14-9-18/h4-7,10,15,18H,8-9,11-14H2,1-3H3/b15-10+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide?
(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide is sourced from PubChem (CID 90607235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).