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

C18H21N5O4S — CID 4823178

IUPACN-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOCCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H21N5O4S/c1-2-26-9-5-8-19-17(25)21-15(24)11-28-18-23-22-16(27-18)13-10-20-14-7-4-3-6-12(13)14/h3-4,6-7,10,20H,2,5,8-9,11H2,1H3,(H2,19,21,24,25)
InChIKeyHWISZBWWVJOQHW-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.56
Rot. Bonds9

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

N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4823178) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4823178
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOCCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H21N5O4S/c1-2-26-9-5-8-19-17(25)21-15(24)11-28-18-23-22-16(27-18)13-10-20-14-7-4-3-6-12(13)14/h3-4,6-7,10,20H,2,5,8-9,11H2,1H3,(H2,19,21,24,25)
InChIKeyHWISZBWWVJOQHW-UHFFFAOYSA-N
XLogP2.56
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
N-(tert-butylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2472345
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]-N-(3-phenylpropyl)acetamide
CID 2636954
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 2551426
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
CID 135623548
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135599287
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethoxypropylcarbamoyl)acetamide
CID 4823181
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4823178) is N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCOCCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HWISZBWWVJOQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-2-26-9-5-8-19-17(25)21-15(24)11-28-18-23-22-16(27-18)13-10-20-14-7-4-3-6-12(13)14/h3-4,6-7,10,20H,2,5,8-9,11H2,1H3,(H2,19,21,24,25).
What are the key properties of N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4823178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).