N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H23NO4S — CID 55905966

IUPACN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCN(C(C)c1cccc(OC)c1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23NO4S/c1-4-20(14(2)15-6-5-7-17(12-15)23-3)25(21,22)18-8-9-19-16(13-18)10-11-24-19/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeyVXIJQVNLBOCLLG-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.40
Rot. Bonds6

About N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 55905966) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID55905966
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCN(C(C)c1cccc(OC)c1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23NO4S/c1-4-20(14(2)15-6-5-7-17(12-15)23-3)25(21,22)18-8-9-19-16(13-18)10-11-24-19/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeyVXIJQVNLBOCLLG-UHFFFAOYSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
CID 55905708
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110663406
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 90558041
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207230
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
methyl (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3-methoxyphenyl)methylamino]acetate
CID 124621483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 55905966) is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CCN(C(C)c1cccc(OC)c1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is VXIJQVNLBOCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-20(14(2)15-6-5-7-17(12-15)23-3)25(21,22)18-8-9-19-16(13-18)10-11-24-19/h5-9,12-14H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 55905966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).