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

C21H18N4O5S — CID 46380476

IUPACN-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H18N4O5S/c1-14(22-20(26)18-8-5-13-29-18)21-23-19(24-30-21)15-9-11-16(12-10-15)25-31(27,28)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,22,26)
InChIKeyIOWYPJAIVAVSRB-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.62
Rot. Bonds7

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

N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 46380476) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID46380476
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC NameN-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H18N4O5S/c1-14(22-20(26)18-8-5-13-29-18)21-23-19(24-30-21)15-9-11-16(12-10-15)25-31(27,28)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,22,26)
InChIKeyIOWYPJAIVAVSRB-UHFFFAOYSA-N
XLogP3.62
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92728786
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 93140344
N-[1-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53112536
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723590
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501919
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 46380476) is N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1.
What is the InChIKey of N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is IOWYPJAIVAVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-14(22-20(26)18-8-5-13-29-18)21-23-19(24-30-21)15-9-11-16(12-10-15)25-31(27,28)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,22,26).
What are the key properties of N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 46380476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).