[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate

C17H17FN2O6S — CID 46459361

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1F
InChIInChI=1S/C17H17FN2O6S/c1-10-2-3-12(8-13(10)18)19-15(21)9-25-17(22)14-6-7-16(26-14)27(23,24)20-11-4-5-11/h2-3,6-8,11,20H,4-5,9H2,1H3,(H,19,21)
InChIKeyDBQYTEDRYMYTQR-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.96
Rot. Bonds7

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate (PubChem CID 46459361) has the molecular formula C17H17FN2O6S and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate
PubChem CID46459361
Molecular FormulaC17H17FN2O6S
Molecular Weight396.40 g/mol
Exact Mass396.08
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1F
InChIInChI=1S/C17H17FN2O6S/c1-10-2-3-12(8-13(10)18)19-15(21)9-25-17(22)14-6-7-16(26-14)27(23,24)20-11-4-5-11/h2-3,6-8,11,20H,4-5,9H2,1H3,(H,19,21)
InChIKeyDBQYTEDRYMYTQR-UHFFFAOYSA-N
XLogP1.96
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate with MolForge

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Related Compounds

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752801
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584358
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993772
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823611
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519085
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706593

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate (CID 46459361) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate?
The InChIKey is DBQYTEDRYMYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O6S/c1-10-2-3-12(8-13(10)18)19-15(21)9-25-17(22)14-6-7-16(26-14)27(23,24)20-11-4-5-11/h2-3,6-8,11,20H,4-5,9H2,1H3,(H,19,21).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate is sourced from PubChem (CID 46459361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).