4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide

C19H22N2O4S — CID 51177921

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-21(4-2)19(22)14-5-7-16(8-6-14)20-26(23,24)17-9-10-18-15(13-17)11-12-25-18/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyBQXCXUGYZQAMAW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.90
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide

4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide (PubChem CID 51177921) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
PubChem CID51177921
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-21(4-2)19(22)14-5-7-16(8-6-14)20-26(23,24)17-9-10-18-15(13-17)11-12-25-18/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyBQXCXUGYZQAMAW-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide 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

N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N,N-diethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586489
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46653296
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55438165

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide (CID 51177921) is 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide?
The InChIKey is BQXCXUGYZQAMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-21(4-2)19(22)14-5-7-16(8-6-14)20-26(23,24)17-9-10-18-15(13-17)11-12-25-18/h5-10,13,20H,3-4,11-12H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide?
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 51177921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).