2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine

C20H23NO3S — CID 78819087

IUPAC2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
SMILESCCc1oc2ccccc2c1CN(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO3S/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-21(2)13-14-25(22,23)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyYZJDWGJLXCXPJP-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.90
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine

2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine (PubChem CID 78819087) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
PubChem CID78819087
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
SMILESCCc1oc2ccccc2c1CN(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO3S/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-21(2)13-14-25(22,23)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyYZJDWGJLXCXPJP-UHFFFAOYSA-N
XLogP3.90
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
CID 111439493
2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 154774645
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
4-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 138003676
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78899492
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine (CID 78819087) is 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine is CCc1oc2ccccc2c1CN(C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine?
The InChIKey is YZJDWGJLXCXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-21(2)13-14-25(22,23)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine?
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine has a molecular weight of 357.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 78819087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).