2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C23H27NO4S — CID 55433162

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cc2occ(CC(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C
InChIInChI=1S/C23H27NO4S/c1-14(2)20-12-21-18(13-28-22(21)10-15(20)3)11-23(25)24-16(4)17-6-8-19(9-7-17)29(5,26)27/h6-10,12-14,16H,11H2,1-5H3,(H,24,25)
InChIKeyQDUYAMWYENAEDO-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.69
Rot. Bonds6

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 55433162) has the molecular formula C23H27NO4S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID55433162
Molecular FormulaC23H27NO4S
Molecular Weight413.54 g/mol
Exact Mass413.17
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cc2occ(CC(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C
InChIInChI=1S/C23H27NO4S/c1-14(2)20-12-21-18(13-28-22(21)10-15(20)3)11-23(25)24-16(4)17-6-8-19(9-7-17)29(5,26)27/h6-10,12-14,16H,11H2,1-5H3,(H,24,25)
InChIKeyQDUYAMWYENAEDO-UHFFFAOYSA-N
XLogP4.69
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945815
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2084883
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 43007944
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32905444
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 52762484
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 55433162) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1cc2occ(CC(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is QDUYAMWYENAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4S/c1-14(2)20-12-21-18(13-28-22(21)10-15(20)3)11-23(25)24-16(4)17-6-8-19(9-7-17)29(5,26)27/h6-10,12-14,16H,11H2,1-5H3,(H,24,25).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 55433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).