2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C27H28N2O5S — CID 4833110

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C27H28N2O5S/c1-2-33-24-13-11-21(35(31,32)29-14-6-3-7-15-29)17-23(24)28-26(30)16-20-18-34-25-12-10-19-8-4-5-9-22(19)27(20)25/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,28,30)
InChIKeyRQRISKXWLIWBGH-UHFFFAOYSA-N
MW492.60 g/mol
LogP5.34
Rot. Bonds7

About 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4833110) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4833110
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C27H28N2O5S/c1-2-33-24-13-11-21(35(31,32)29-14-6-3-7-15-29)17-23(24)28-26(30)16-20-18-34-25-12-10-19-8-4-5-9-22(19)27(20)25/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,28,30)
InChIKeyRQRISKXWLIWBGH-UHFFFAOYSA-N
XLogP5.34
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26065721
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 18860776
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 4833110) is 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RQRISKXWLIWBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-2-33-24-13-11-21(35(31,32)29-14-6-3-7-15-29)17-23(24)28-26(30)16-20-18-34-25-12-10-19-8-4-5-9-22(19)27(20)25/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,28,30).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 492.60 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4833110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).