N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide

C13H20N2O3S — CID 55052878

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H20N2O3S/c1-2-14-7-8-19(16,17)15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyILBUHZMRUUUGMR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.52
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 55052878) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide
PubChem CID55052878
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H20N2O3S/c1-2-14-7-8-19(16,17)15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyILBUHZMRUUUGMR-UHFFFAOYSA-N
XLogP0.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
CID 61252197
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide (CID 55052878) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is ILBUHZMRUUUGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-14-7-8-19(16,17)15-10-12-9-11-5-3-4-6-13(11)18-12/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 55052878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).