2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C26H26N2O4S — CID 18860776

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)C1
InChIInChI=1S/C26H26N2O4S/c1-18-5-4-14-28(16-18)33(30,31)22-11-9-21(10-12-22)27-25(29)15-20-17-32-24-13-8-19-6-2-3-7-23(19)26(20)24/h2-3,6-13,17-18H,4-5,14-16H2,1H3,(H,27,29)
InChIKeyLWRUQUAQDWUSDY-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.19
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 18860776) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID18860776
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)C1
InChIInChI=1S/C26H26N2O4S/c1-18-5-4-14-28(16-18)33(30,31)22-11-9-21(10-12-22)27-25(29)15-20-17-32-24-13-8-19-6-2-3-7-23(19)26(20)24/h2-3,6-13,17-18H,4-5,14-16H2,1H3,(H,27,29)
InChIKeyLWRUQUAQDWUSDY-UHFFFAOYSA-N
XLogP5.19
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4833110
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3173793
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 18860776) is 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)C1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is LWRUQUAQDWUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-18-5-4-14-28(16-18)33(30,31)22-11-9-21(10-12-22)27-25(29)15-20-17-32-24-13-8-19-6-2-3-7-23(19)26(20)24/h2-3,6-13,17-18H,4-5,14-16H2,1H3,(H,27,29).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 462.57 g/mol, XLogP of 5.19, 5 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-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 18860776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).