(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine

C19H23NO2S — CID 11034867

IUPAC(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
SMILESCCN(CC)/C(=C/S(=O)(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2S/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-23(21,22)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+
InChIKeyBBEYAYIELRMBNC-FBMGVBCBSA-N
MW329.47 g/mol
LogP3.89
Rot. Bonds7

About (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine

(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine (PubChem CID 11034867) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
PubChem CID11034867
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
SMILESCCN(CC)/C(=C/S(=O)(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2S/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-23(21,22)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+
InChIKeyBBEYAYIELRMBNC-FBMGVBCBSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
CID 10519280
2-chloroprop-1-enylsulfonylbenzene
CID 71326207
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-[(E)-1-(benzenesulfonyl)prop-1-en-2-yl]butan-1-amine
CID 6383965
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
1-methyl-4-(3-phenyl-2-phenylselanylprop-1-enyl)sulfonylbenzene
CID 175968194
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
methyl 2-[3-(benzenesulfonyl)prop-2-enoyl-ethylamino]acetate
CID 76911618
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
sodium (Z)-1-(benzenesulfonyl)-3-ethoxy-3-oxoprop-1-en-2-olate
CID 146277903
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The IUPAC name of (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine (CID 11034867) is (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine is CCN(CC)/C(=C/S(=O)(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The InChIKey is BBEYAYIELRMBNC-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-23(21,22)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+.
What are the key properties of (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine is sourced from PubChem (CID 11034867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).