[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C15H15FN2O6S — CID 55643918

IUPAC[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1F
InChIInChI=1S/C15H15FN2O6S/c1-9-2-3-10(6-11(9)16)7-18-13(19)8-23-15(20)12-4-5-14(24-12)25(17,21)22/h2-6H,7-8H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyAAWKLTMKNFVKPT-UHFFFAOYSA-N
MW370.36 g/mol
LogP0.85
Rot. Bonds6

About [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643918) has the molecular formula C15H15FN2O6S and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643918
Molecular FormulaC15H15FN2O6S
Molecular Weight370.36 g/mol
Exact Mass370.06
IUPAC Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1F
InChIInChI=1S/C15H15FN2O6S/c1-9-2-3-10(6-11(9)16)7-18-13(19)8-23-15(20)12-4-5-14(24-12)25(17,21)22/h2-6H,7-8H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyAAWKLTMKNFVKPT-UHFFFAOYSA-N
XLogP0.85
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644024
[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-methylphenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35189978
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995848
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate
CID 46459361
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 25434009
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387076
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 71820659
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643918) is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is Cc1ccc(CNC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is AAWKLTMKNFVKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O6S/c1-9-2-3-10(6-11(9)16)7-18-13(19)8-23-15(20)12-4-5-14(24-12)25(17,21)22/h2-6H,7-8H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).