2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide

C22H23N3O2 — CID 55727084

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)n(C(C)(C)C)n1
InChIInChI=1S/C22H23N3O2/c1-14-11-19(25(24-14)22(2,3)4)23-20(26)12-16-13-27-18-10-9-15-7-5-6-8-17(15)21(16)18/h5-11,13H,12H2,1-4H3,(H,23,26)
InChIKeyLSWIRZUOIPKDTE-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.03
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 55727084) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
PubChem CID55727084
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)n(C(C)(C)C)n1
InChIInChI=1S/C22H23N3O2/c1-14-11-19(25(24-14)22(2,3)4)23-20(26)12-16-13-27-18-10-9-15-7-5-6-8-17(15)21(16)18/h5-11,13H,12H2,1-4H3,(H,23,26)
InChIKeyLSWIRZUOIPKDTE-UHFFFAOYSA-N
XLogP5.03
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide with MolForge

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide (CID 55727084) is 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)n(C(C)(C)C)n1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is LSWIRZUOIPKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-11-19(25(24-14)22(2,3)4)23-20(26)12-16-13-27-18-10-9-15-7-5-6-8-17(15)21(16)18/h5-11,13H,12H2,1-4H3,(H,23,26).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 361.44 g/mol, XLogP of 5.03, 3 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-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55727084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).