2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide

C28H24N2O4S — CID 18860779

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C28H24N2O4S/c1-2-30(23-9-4-3-5-10-23)35(32,33)24-15-13-22(14-16-24)29-27(31)18-21-19-34-26-17-12-20-8-6-7-11-25(20)28(21)26/h3-17,19H,2,18H2,1H3,(H,29,31)
InChIKeyGNTZKQMFXYNPSB-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.98
Rot. Bonds7

About 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 18860779) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID18860779
Molecular FormulaC28H24N2O4S
Molecular Weight484.58 g/mol
Exact Mass484.15
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C28H24N2O4S/c1-2-30(23-9-4-3-5-10-23)35(32,33)24-15-13-22(14-16-24)29-27(31)18-21-19-34-26-17-12-20-8-6-7-11-25(20)28(21)26/h3-17,19H,2,18H2,1H3,(H,29,31)
InChIKeyGNTZKQMFXYNPSB-UHFFFAOYSA-N
XLogP5.98
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 146022702
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
3-[[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 24638380
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 4728261
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide (CID 18860779) is 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GNTZKQMFXYNPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S/c1-2-30(23-9-4-3-5-10-23)35(32,33)24-15-13-22(14-16-24)29-27(31)18-21-19-34-26-17-12-20-8-6-7-11-25(20)28(21)26/h3-17,19H,2,18H2,1H3,(H,29,31).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18860779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).