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

C20H22N4O2S — CID 135675705

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)C1=CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-2-24(14-8-4-3-5-9-14)18(25)13-27-20-23-22-19(26-20)16-12-21-17-11-7-6-10-15(16)17/h6-8,10-12,21H,2-5,9,13H2,1H3
InChIKeyTWPIYDUZUSMJOD-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.62
Rot. Bonds6

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

N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135675705) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID135675705
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)C1=CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-2-24(14-8-4-3-5-9-14)18(25)13-27-20-23-22-19(26-20)16-12-21-17-11-7-6-10-15(16)17/h6-8,10-12,21H,2-5,9,13H2,1H3
InChIKeyTWPIYDUZUSMJOD-UHFFFAOYSA-N
XLogP4.62
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8004542
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 135710119
N-(cyclopenten-1-yl)-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 135623488
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 135848477
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-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 135569681
(E)-3-amino-2-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile
CID 135686774
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
N-[4-(dimethylamino)phenyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2350231

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 135675705) is N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is TWPIYDUZUSMJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-24(14-8-4-3-5-9-14)18(25)13-27-20-23-22-19(26-20)16-12-21-17-11-7-6-10-15(16)17/h6-8,10-12,21H,2-5,9,13H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135675705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).