3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid

C15H16FNO5S — CID 167817757

IUPAC3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCc1coc(S(=O)(=O)N(CCC(=O)O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H16FNO5S/c1-11-7-15(22-10-11)23(20,21)17(6-5-14(18)19)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19)
InChIKeyKJMRGEPUUXIQJQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.39
Rot. Bonds7

About 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid

3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid (PubChem CID 167817757) has the molecular formula C15H16FNO5S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid
PubChem CID167817757
Molecular FormulaC15H16FNO5S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid
SMILESCc1coc(S(=O)(=O)N(CCC(=O)O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H16FNO5S/c1-11-7-15(22-10-11)23(20,21)17(6-5-14(18)19)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19)
InChIKeyKJMRGEPUUXIQJQ-UHFFFAOYSA-N
XLogP2.39
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methylphenyl)methyl-[(5-methyl-3-pyridinyl)sulfonyl]amino]propanoic acid
CID 167973521
4-[[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-[(3-fluorophenyl)methyl]amino]butanoic acid
CID 166224420
3-[(3-fluorophenyl)methyl-pentylamino]propanoic acid
CID 82330494
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645
3-[3-chloro-N-[(3-fluorophenyl)methyl]anilino]propanoic acid
CID 95532653
3-[benzyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 167750051
3-[N-[(3-fluorophenyl)methyl]-3-methoxyanilino]propanoic acid
CID 82320063
3-[methyl-[[3-(4-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122037165
3-[(5-fluoro-3-pyridinyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167944542
3-[(3,4-difluorophenyl)methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
CID 138029039
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 28931995

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid (CID 167817757) is 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid is Cc1coc(S(=O)(=O)N(CCC(=O)O)Cc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
The InChIKey is KJMRGEPUUXIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5S/c1-11-7-15(22-10-11)23(20,21)17(6-5-14(18)19)9-12-3-2-4-13(16)8-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19).
What are the key properties of 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid?
3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid has a molecular weight of 341.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl-(4-methylfuran-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 167817757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).