2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

C19H24ClN3O4S — CID 119439155

IUPAC2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-2-20-10-14-5-3-4-6-18(14)22-19(23)11-21-27(24,25)17-8-7-15-12-26-13-16(15)9-17;/h3-9,20-21H,2,10-13H2,1H3,(H,22,23);1H
InChIKeyQFAJEFWJXUWGCF-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.17
Rot. Bonds8

About 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119439155) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119439155
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-2-20-10-14-5-3-4-6-18(14)22-19(23)11-21-27(24,25)17-8-7-15-12-26-13-16(15)9-17;/h3-9,20-21H,2,10-13H2,1H3,(H,22,23);1H
InChIKeyQFAJEFWJXUWGCF-UHFFFAOYSA-N
XLogP2.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438096
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119439099

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (CID 119439155) is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2.Cl.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is QFAJEFWJXUWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-2-20-10-14-5-3-4-6-18(14)22-19(23)11-21-27(24,25)17-8-7-15-12-26-13-16(15)9-17;/h3-9,20-21H,2,10-13H2,1H3,(H,22,23);1H.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119439155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).