2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C23H26N2O5S — CID 26521392

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2cc1C
InChIInChI=1S/C23H26N2O5S/c1-15-4-5-19(13-22(15)31(27,28)25-6-8-29-9-7-25)24-23(26)12-18-14-30-21-11-17(3)16(2)10-20(18)21/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,26)
InChIKeyIXUPQKRKKXKTJB-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.56
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 26521392) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID26521392
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2cc1C
InChIInChI=1S/C23H26N2O5S/c1-15-4-5-19(13-22(15)31(27,28)25-6-8-29-9-7-25)24-23(26)12-18-14-30-21-11-17(3)16(2)10-20(18)21/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,26)
InChIKeyIXUPQKRKKXKTJB-UHFFFAOYSA-N
XLogP3.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3520986
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26269633
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 26521392) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1cc2occ(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is IXUPQKRKKXKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-15-4-5-19(13-22(15)31(27,28)25-6-8-29-9-7-25)24-23(26)12-18-14-30-21-11-17(3)16(2)10-20(18)21/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,26).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 26521392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).