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

C20H24N2O4S — CID 47954952

IUPAC4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-22(4-2)20(23)15-9-11-18(12-10-15)27(24,25)21-14-17-13-16-7-5-6-8-19(16)26-17/h5-12,17,21H,3-4,13-14H2,1-2H3
InChIKeyGHMSYGLODBBTGO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.45
Rot. Bonds7

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

4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide (PubChem CID 47954952) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
PubChem CID47954952
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-22(4-2)20(23)15-9-11-18(12-10-15)27(24,25)21-14-17-13-16-7-5-6-8-19(16)26-17/h5-12,17,21H,3-4,13-14H2,1-2H3
InChIKeyGHMSYGLODBBTGO-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55627727
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide
CID 55052878
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111950101
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide (CID 47954952) is 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide?
The InChIKey is GHMSYGLODBBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-22(4-2)20(23)15-9-11-18(12-10-15)27(24,25)21-14-17-13-16-7-5-6-8-19(16)26-17/h5-12,17,21H,3-4,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide?
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.45, 7 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-2-ylmethylsulfamoyl)-N,N-diethylbenzamide is sourced from PubChem (CID 47954952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).