N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide

C24H22FNO3S — CID 45180709

IUPACN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)Cc2ccccc2C)C3)s1
InChIInChI=1S/C24H22FNO3S/c1-14-5-3-4-6-16(14)11-23(28)26-13-19-10-17-9-18(25)12-20(24(17)29-19)22-8-7-21(30-22)15(2)27/h3-9,12,19H,10-11,13H2,1-2H3,(H,26,28)
InChIKeyXGHALJNOSIPFIX-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.73
Rot. Bonds6

About N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide

N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 45180709) has the molecular formula C24H22FNO3S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID45180709
Molecular FormulaC24H22FNO3S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)Cc2ccccc2C)C3)s1
InChIInChI=1S/C24H22FNO3S/c1-14-5-3-4-6-16(14)11-23(28)26-13-19-10-17-9-18(25)12-20(24(17)29-19)22-8-7-21(30-22)15(2)27/h3-9,12,19H,10-11,13H2,1-2H3,(H,26,28)
InChIKeyXGHALJNOSIPFIX-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide (CID 45180709) is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide is CC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)Cc2ccccc2C)C3)s1.
What is the InChIKey of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is XGHALJNOSIPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3S/c1-14-5-3-4-6-16(14)11-23(28)26-13-19-10-17-9-18(25)12-20(24(17)29-19)22-8-7-21(30-22)15(2)27/h3-9,12,19H,10-11,13H2,1-2H3,(H,26,28).
What are the key properties of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide?
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 45180709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).