3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C20H20N2O5S — CID 16837991

IUPAC3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O5S/c1-12(2)28(25,26)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)27-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyNXEXVPCZYXUQGX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.89
Rot. Bonds6

About 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16837991) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16837991
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O5S/c1-12(2)28(25,26)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)27-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyNXEXVPCZYXUQGX-UHFFFAOYSA-N
XLogP2.89
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
methyl 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 16837986
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16837991) is 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is NXEXVPCZYXUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-12(2)28(25,26)14-9-7-13(8-10-14)11-17(23)22-18-15-5-3-4-6-16(15)27-19(18)20(21)24/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16837991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).