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

C24H19FN4O3S — CID 3452680

IUPACN-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H19FN4O3S/c1-15-10-11-19(13-20(15)27-22(31)16-6-3-2-4-7-16)26-21(30)14-33-24-29-28-23(32-24)17-8-5-9-18(25)12-17/h2-13H,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyVKWXYCKBZBTMGX-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.17
Rot. Bonds7

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

N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide (PubChem CID 3452680) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide
PubChem CID3452680
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC NameN-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H19FN4O3S/c1-15-10-11-19(13-20(15)27-22(31)16-6-3-2-4-7-16)26-21(30)14-33-24-29-28-23(32-24)17-8-5-9-18(25)12-17/h2-13H,14H2,1H3,(H,26,30)(H,27,31)
InChIKeyVKWXYCKBZBTMGX-UHFFFAOYSA-N
XLogP5.17
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 4559775
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 3301651
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 4238527
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3385104
N-(3-fluoro-4-methylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3979982
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600871
N-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7412445
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4317308
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 1143033

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide (CID 3452680) is N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide is Cc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide?
The InChIKey is VKWXYCKBZBTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c1-15-10-11-19(13-20(15)27-22(31)16-6-3-2-4-7-16)26-21(30)14-33-24-29-28-23(32-24)17-8-5-9-18(25)12-17/h2-13H,14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide?
N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 3452680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).