N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine

C14H14N4O4S — CID 56891299

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C14H14N4O4S/c19-23(20,15-9-11-5-2-1-3-6-11)16-10-13-17-14(22-18-13)12-7-4-8-21-12/h1-8,15-16H,9-10H2
InChIKeyGXEYBFISHAETAF-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.45
Rot. Bonds7

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine (PubChem CID 56891299) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
PubChem CID56891299
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCc1noc(-c2ccco2)n1
InChIInChI=1S/C14H14N4O4S/c19-23(20,15-9-11-5-2-1-3-6-11)16-10-13-17-14(22-18-13)12-7-4-8-21-12/h1-8,15-16H,9-10H2
InChIKeyGXEYBFISHAETAF-UHFFFAOYSA-N
XLogP1.45
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylcyclopropane-1-sulfonamide
CID 166331393
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
CID 56909311
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
CID 95139630
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine (CID 56891299) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine is O=S(=O)(NCc1ccccc1)NCc1noc(-c2ccco2)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is GXEYBFISHAETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c19-23(20,15-9-11-5-2-1-3-6-11)16-10-13-17-14(22-18-13)12-7-4-8-21-12/h1-8,15-16H,9-10H2.
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 334.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 56891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).