N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide

C17H20N2O3S — CID 71860570

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(C(c1cccnc1)c1ccc2c(c1)CCO2)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-3-19(23(2,20)21)17(15-5-4-9-18-12-15)14-6-7-16-13(11-14)8-10-22-16/h4-7,9,11-12,17H,3,8,10H2,1-2H3
InChIKeyHFHSABQKENPMNW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.39
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide (PubChem CID 71860570) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
PubChem CID71860570
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(C(c1cccnc1)c1ccc2c(c1)CCO2)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-3-19(23(2,20)21)17(15-5-4-9-18-12-15)14-6-7-16-13(11-14)8-10-22-16/h4-7,9,11-12,17H,3,8,10H2,1-2H3
InChIKeyHFHSABQKENPMNW-UHFFFAOYSA-N
XLogP2.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide (CID 71860570) is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide is CCN(C(c1cccnc1)c1ccc2c(c1)CCO2)S(C)(=O)=O.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is HFHSABQKENPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-19(23(2,20)21)17(15-5-4-9-18-12-15)14-6-7-16-13(11-14)8-10-22-16/h4-7,9,11-12,17H,3,8,10H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 71860570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).