3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide

C18H16N2O5S — CID 43980597

IUPAC3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-11-6-8-12(9-7-11)26(23,24)10-15(21)20-16-13-4-2-3-5-14(13)25-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWSVMEWPJWNOKHS-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.25
Rot. Bonds5

About 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide

3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 43980597) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID43980597
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-11-6-8-12(9-7-11)26(23,24)10-15(21)20-16-13-4-2-3-5-14(13)25-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWSVMEWPJWNOKHS-UHFFFAOYSA-N
XLogP2.25
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
ethyl 3-[4-(4-methylphenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate
CID 41273431
N-(2-carbamoyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923770
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 16566807

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide (CID 43980597) is 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is WSVMEWPJWNOKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-6-8-12(9-7-11)26(23,24)10-15(21)20-16-13-4-2-3-5-14(13)25-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43980597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).