(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide

C19H24N2O3S — CID 60530963

IUPAC(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide
SMILESCN(C)CCOc1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-21(2)12-13-24-19-10-6-9-18(15-19)16-20-25(22,23)14-11-17-7-4-3-5-8-17/h3-11,14-15,20H,12-13,16H2,1-2H3/b14-11+
InChIKeyDXQRRGKJMOFVNQ-SDNWHVSQSA-N
MW360.48 g/mol
LogP2.72
Rot. Bonds9

About (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide

(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide (PubChem CID 60530963) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide
PubChem CID60530963
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide
SMILESCN(C)CCOc1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-21(2)12-13-24-19-10-6-9-18(15-19)16-20-25(22,23)14-11-17-7-4-3-5-8-17/h3-11,14-15,20H,12-13,16H2,1-2H3/b14-11+
InChIKeyDXQRRGKJMOFVNQ-SDNWHVSQSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55321942
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-sulfonamide
CID 143583079
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide (CID 60530963) is (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide is CN(C)CCOc1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide?
The InChIKey is DXQRRGKJMOFVNQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(2)12-13-24-19-10-6-9-18(15-19)16-20-25(22,23)14-11-17-7-4-3-5-8-17/h3-11,14-15,20H,12-13,16H2,1-2H3/b14-11+.
What are the key properties of (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 60530963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).