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

C19H21NO3S — CID 134001049

IUPACN-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
SMILESCC(c1cc2ccccc2o1)N(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-15(19-14-16-8-6-7-11-18(16)23-19)20(2)12-13-24(21,22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyPYIOGARHRCBUHR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.90
Rot. Bonds6

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

N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 134001049) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
PubChem CID134001049
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
SMILESCC(c1cc2ccccc2o1)N(C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-15(19-14-16-8-6-7-11-18(16)23-19)20(2)12-13-24(21,22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyPYIOGARHRCBUHR-UHFFFAOYSA-N
XLogP3.90
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 46551665
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
(1R,2S)-2-[2-(benzenesulfonyl)ethyl-methylamino]-1-phenylpropan-1-ol
CID 11256082
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 94020630
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
CID 46452657
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine (CID 134001049) is N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine is CC(c1cc2ccccc2o1)N(C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is PYIOGARHRCBUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15(19-14-16-8-6-7-11-18(16)23-19)20(2)12-13-24(21,22)17-9-4-3-5-10-17/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine?
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 343.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 134001049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).