N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide

C22H18N4O4S — CID 18201786

IUPACN-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H18N4O4S/c27-19(14-31-22-26-25-21(30-22)18-11-6-12-29-18)24-17-10-5-4-9-16(17)20(28)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,28)(H,24,27)
InChIKeyLZLSMBKEFMUVBL-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.99
Rot. Bonds8

About N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide

N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide (PubChem CID 18201786) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
PubChem CID18201786
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC NameN-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H18N4O4S/c27-19(14-31-22-26-25-21(30-22)18-11-6-12-29-18)24-17-10-5-4-9-16(17)20(28)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,28)(H,24,27)
InChIKeyLZLSMBKEFMUVBL-UHFFFAOYSA-N
XLogP3.99
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 7808654
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1303799
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
N-(2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2972145
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
CID 9006473
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2969024
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2399025
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8663194
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-1-ylethanone
CID 593280
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
[(1R)-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2085630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide (CID 18201786) is N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide is O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is LZLSMBKEFMUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c27-19(14-31-22-26-25-21(30-22)18-11-6-12-29-18)24-17-10-5-4-9-16(17)20(28)23-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,28)(H,24,27).
What are the key properties of N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 434.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 18201786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).