[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C23H24N2O7S — CID 43015178

IUPAC[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C23H24N2O7S/c1-15-6-11-20(33(28,29)24-14-19-5-4-12-31-19)13-21(15)23(27)32-16(2)22(26)25-17-7-9-18(30-3)10-8-17/h4-13,16,24H,14H2,1-3H3,(H,25,26)
InChIKeyJSNYNISTVSDDBE-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.26
Rot. Bonds9

About [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 43015178) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID43015178
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C23H24N2O7S/c1-15-6-11-20(33(28,29)24-14-19-5-4-12-31-19)13-21(15)23(27)32-16(2)22(26)25-17-7-9-18(30-3)10-8-17/h4-13,16,24H,14H2,1-3H3,(H,25,26)
InChIKeyJSNYNISTVSDDBE-UHFFFAOYSA-N
XLogP3.26
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 42988578
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794148
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 41297262
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794226
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18091862
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 42969030
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 43015178) is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is COc1ccc(NC(=O)C(C)OC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1.
What is the InChIKey of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is JSNYNISTVSDDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c1-15-6-11-20(33(28,29)24-14-19-5-4-12-31-19)13-21(15)23(27)32-16(2)22(26)25-17-7-9-18(30-3)10-8-17/h4-13,16,24H,14H2,1-3H3,(H,25,26).
What are the key properties of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 472.52 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 43015178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).