N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide

C23H20N4O6S — CID 53075365

IUPACN-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1)c1ccco1
InChIInChI=1S/C23H20N4O6S/c28-22(20-5-2-12-32-20)24-18-4-1-3-17(15-18)23-25-21(26-33-23)16-6-8-19(9-7-16)34(29,30)27-10-13-31-14-11-27/h1-9,12,15H,10-11,13-14H2,(H,24,28)
InChIKeyFEZPVFPVPLLZTE-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.27
Rot. Bonds6

About N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide

N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 53075365) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID53075365
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC NameN-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1)c1ccco1
InChIInChI=1S/C23H20N4O6S/c28-22(20-5-2-12-32-20)24-18-4-1-3-17(15-18)23-25-21(26-33-23)16-6-8-19(9-7-16)34(29,30)27-10-13-31-14-11-27/h1-9,12,15H,10-11,13-14H2,(H,24,28)
InChIKeyFEZPVFPVPLLZTE-UHFFFAOYSA-N
XLogP3.27
TPSA127.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 46296122
N-[2-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 20934001
N-[(1S)-2-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501929
4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30823369
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501919
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075372
N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40863917
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 53075365) is N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c1)c1ccco1.
What is the InChIKey of N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is FEZPVFPVPLLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c28-22(20-5-2-12-32-20)24-18-4-1-3-17(15-18)23-25-21(26-33-23)16-6-8-19(9-7-16)34(29,30)27-10-13-31-14-11-27/h1-9,12,15H,10-11,13-14H2,(H,24,28).
What are the key properties of N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53075365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).