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

C18H21NO4S — CID 90598926

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1C
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-16(13)18(22-2)12-19-24(20,21)15-7-8-17-14(11-15)9-10-23-17/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyLVYKNVLLFJLGFH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.60
Rot. Bonds6

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

N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 90598926) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID90598926
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1C
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-16(13)18(22-2)12-19-24(20,21)15-7-8-17-14(11-15)9-10-23-17/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyLVYKNVLLFJLGFH-UHFFFAOYSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 90598926) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is COC(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is LVYKNVLLFJLGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-5-3-4-6-16(13)18(22-2)12-19-24(20,21)15-7-8-17-14(11-15)9-10-23-17/h3-8,11,18-19H,9-10,12H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 90598926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).