methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

C19H17NO6S — CID 1110191

IUPACmethyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H17NO6S/c1-12-18(19(22)25-3)16-11-14(9-10-17(16)26-12)20(13(2)21)27(23,24)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyVAEMKDFGUIRYDE-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.27
Rot. Bonds4

About methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 1110191) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID1110191
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Namemethyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C19H17NO6S/c1-12-18(19(22)25-3)16-11-14(9-10-17(16)26-12)20(13(2)21)27(23,24)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyVAEMKDFGUIRYDE-UHFFFAOYSA-N
XLogP3.27
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate (CID 1110191) is methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate is COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is VAEMKDFGUIRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-12-18(19(22)25-3)16-11-14(9-10-17(16)26-12)20(13(2)21)27(23,24)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate?
methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[acetyl(benzenesulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 1110191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).