2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C21H22N2O5S — CID 3971736

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)coc2c1
InChIInChI=1S/C21H22N2O5S/c1-27-17-6-9-19-15(14-28-20(19)13-17)12-21(24)22-16-4-7-18(8-5-16)29(25,26)23-10-2-3-11-23/h4-9,13-14H,2-3,10-12H2,1H3,(H,22,24)
InChIKeyFDGGHVGUAWPBEC-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.41
Rot. Bonds6

About 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3971736) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID3971736
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)coc2c1
InChIInChI=1S/C21H22N2O5S/c1-27-17-6-9-19-15(14-28-20(19)13-17)12-21(24)22-16-4-7-18(8-5-16)29(25,26)23-10-2-3-11-23/h4-9,13-14H,2-3,10-12H2,1H3,(H,22,24)
InChIKeyFDGGHVGUAWPBEC-UHFFFAOYSA-N
XLogP3.41
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26065721
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 51532771
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18861536
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 2664203
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 3971736) is 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FDGGHVGUAWPBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-27-17-6-9-19-15(14-28-20(19)13-17)12-21(24)22-16-4-7-18(8-5-16)29(25,26)23-10-2-3-11-23/h4-9,13-14H,2-3,10-12H2,1H3,(H,22,24).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3971736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).