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

C19H23N3O4S — CID 119438096

IUPAC2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C19H23N3O4S/c1-2-20-10-14-4-3-5-17(8-14)22-19(23)11-21-27(24,25)18-7-6-15-12-26-13-16(15)9-18/h3-9,20-21H,2,10-13H2,1H3,(H,22,23)
InChIKeyJXMTWUHKOASPDG-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.74
Rot. Bonds8

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

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide (PubChem CID 119438096) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
PubChem CID119438096
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C19H23N3O4S/c1-2-20-10-14-4-3-5-17(8-14)22-19(23)11-21-27(24,25)18-7-6-15-12-26-13-16(15)9-18/h3-9,20-21H,2,10-13H2,1H3,(H,22,23)
InChIKeyJXMTWUHKOASPDG-UHFFFAOYSA-N
XLogP1.74
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439155
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide (CID 119438096) is 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide is CCNCc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The InChIKey is JXMTWUHKOASPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-20-10-14-4-3-5-17(8-14)22-19(23)11-21-27(24,25)18-7-6-15-12-26-13-16(15)9-18/h3-9,20-21H,2,10-13H2,1H3,(H,22,23).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.74, 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-[3-(ethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 119438096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).