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

C19H20N4O5S — CID 20933973

IUPACN-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C19H20N4O5S/c1-13(20-18(24)16-5-4-12-27-16)19-21-17(22-28-19)14-6-8-15(9-7-14)29(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24)
InChIKeyRDWCYVHITQFJLJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.61
Rot. Bonds6

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

N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 20933973) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID20933973
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C19H20N4O5S/c1-13(20-18(24)16-5-4-12-27-16)19-21-17(22-28-19)14-6-8-15(9-7-14)29(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24)
InChIKeyRDWCYVHITQFJLJ-UHFFFAOYSA-N
XLogP2.61
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 20933973) is N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1.
What is the InChIKey of N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is RDWCYVHITQFJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-13(20-18(24)16-5-4-12-27-16)19-21-17(22-28-19)14-6-8-15(9-7-14)29(25,26)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,24).
What are the key properties of N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 20933973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).