ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate

C26H23NO6S — CID 2340141

IUPACethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C26H23NO6S/c1-4-32-26(29)24-18(3)33-23-15-14-20(16-22(23)24)27(25(28)19-12-10-17(2)11-13-19)34(30,31)21-8-6-5-7-9-21/h5-16H,4H2,1-3H3
InChIKeyUZBUAAAAOQJRQD-UHFFFAOYSA-N
MW477.54 g/mol
LogP5.26
Rot. Bonds6

About ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate

ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 2340141) has the molecular formula C26H23NO6S and a molecular weight of 477.54 g/mol. Its IUPAC name is ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID2340141
Molecular FormulaC26H23NO6S
Molecular Weight477.54 g/mol
Exact Mass477.12
IUPAC Nameethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C26H23NO6S/c1-4-32-26(29)24-18(3)33-23-15-14-20(16-22(23)24)27(25(28)19-12-10-17(2)11-13-19)34(30,31)21-8-6-5-7-9-21/h5-16H,4H2,1-3H3
InChIKeyUZBUAAAAOQJRQD-UHFFFAOYSA-N
XLogP5.26
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate (CID 2340141) is ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is UZBUAAAAOQJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6S/c1-4-32-26(29)24-18(3)33-23-15-14-20(16-22(23)24)27(25(28)19-12-10-17(2)11-13-19)34(30,31)21-8-6-5-7-9-21/h5-16H,4H2,1-3H3.
What are the key properties of ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 477.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[benzenesulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 2340141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).