2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C21H22N2O5S — CID 4800794

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1
InChIInChI=1S/C21H22N2O5S/c1-15-5-6-19-16(14-28-20(19)11-15)12-21(24)22-17-3-2-4-18(13-17)29(25,26)23-7-9-27-10-8-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,24)
InChIKeySQPCQTAIJUERJD-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.94
Rot. Bonds5

About 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4800794) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4800794
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1
InChIInChI=1S/C21H22N2O5S/c1-15-5-6-19-16(14-28-20(19)11-15)12-21(24)22-17-3-2-4-18(13-17)29(25,26)23-7-9-27-10-8-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,24)
InChIKeySQPCQTAIJUERJD-UHFFFAOYSA-N
XLogP2.94
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4800794) is 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SQPCQTAIJUERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-15-5-6-19-16(14-28-20(19)11-15)12-21(24)22-17-3-2-4-18(13-17)29(25,26)23-7-9-27-10-8-23/h2-6,11,13-14H,7-10,12H2,1H3,(H,22,24).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 414.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4800794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).