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

C18H16N2O6S — CID 18586175

IUPAC3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O6S/c1-25-11-6-8-12(9-7-11)27(23,24)10-15(21)20-16-13-4-2-3-5-14(13)26-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyZMYNULKMPFCVFA-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.95
Rot. Bonds6

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

3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 18586175) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID18586175
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O6S/c1-25-11-6-8-12(9-7-11)27(23,24)10-15(21)20-16-13-4-2-3-5-14(13)26-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyZMYNULKMPFCVFA-UHFFFAOYSA-N
XLogP1.95
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide (CID 18586175) is 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(S(=O)(=O)CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is ZMYNULKMPFCVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c1-25-11-6-8-12(9-7-11)27(23,24)10-15(21)20-16-13-4-2-3-5-14(13)26-17(16)18(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18586175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).