N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C26H21N5O2S — CID 2349516

IUPACN-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4c[nH]c5ccccc45)o3)ccc21
InChIInChI=1S/C26H21N5O2S/c1-2-31-22-10-6-4-8-18(22)19-13-16(11-12-23(19)31)28-24(32)15-34-26-30-29-25(33-26)20-14-27-21-9-5-3-7-17(20)21/h3-14,27H,2,15H2,1H3,(H,28,32)
InChIKeyBGTZESLXVHCIOK-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.08
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2349516) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2349516
Molecular FormulaC26H21N5O2S
Molecular Weight467.55 g/mol
Exact Mass467.14
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4c[nH]c5ccccc45)o3)ccc21
InChIInChI=1S/C26H21N5O2S/c1-2-31-22-10-6-4-8-18(22)19-13-16(11-12-23(19)31)28-24(32)15-34-26-30-29-25(33-26)20-14-27-21-9-5-3-7-17(20)21/h3-14,27H,2,15H2,1H3,(H,28,32)
InChIKeyBGTZESLXVHCIOK-UHFFFAOYSA-N
XLogP6.08
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655
N-[4-(dimethylamino)phenyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2350231
N-(3,5-dichlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2348049
N-(3-chloro-4-cyanophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2103854
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide
CID 2463440
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 2551426
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 135710113
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
N-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
N-(2,3-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135763691
N-(tert-butylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2472345

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2349516) is N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4c[nH]c5ccccc45)o3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BGTZESLXVHCIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S/c1-2-31-22-10-6-4-8-18(22)19-13-16(11-12-23(19)31)28-24(32)15-34-26-30-29-25(33-26)20-14-27-21-9-5-3-7-17(20)21/h3-14,27H,2,15H2,1H3,(H,28,32).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 6.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).