N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide

C20H16N4O4S — CID 135623548

IUPACN-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C20H16N4O4S/c1-27-16-9-5-3-7-13(16)18(26)22-17(25)11-29-20-24-23-19(28-20)14-10-21-15-8-4-2-6-12(14)15/h2-10,21H,11H2,1H3,(H,22,25,26)
InChIKeyPNUHHYSSUNZTRN-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide

N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide (PubChem CID 135623548) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
PubChem CID135623548
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC NameN-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C20H16N4O4S/c1-27-16-9-5-3-7-13(16)18(26)22-17(25)11-29-20-24-23-19(28-20)14-10-21-15-8-4-2-6-12(14)15/h2-10,21H,11H2,1H3,(H,22,25,26)
InChIKeyPNUHHYSSUNZTRN-UHFFFAOYSA-N
XLogP3.28
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide with MolForge

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Related Compounds

2-methoxy-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683029
4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 135710112
N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636221
N-(tert-butylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2472345
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 135840710
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 2551426
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135569671
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
N-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4823178

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide (CID 135623548) is N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide?
The InChIKey is PNUHHYSSUNZTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-27-16-9-5-3-7-13(16)18(26)22-17(25)11-29-20-24-23-19(28-20)14-10-21-15-8-4-2-6-12(14)15/h2-10,21H,11H2,1H3,(H,22,25,26).
What are the key properties of N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide?
N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide has a molecular weight of 408.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide is sourced from PubChem (CID 135623548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).