(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C22H26N4O2S — CID 92901955

IUPAC(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H26N4O2S/c1-15(20(27)23-13-12-16-8-4-3-5-9-16)29-22-25-24-21(28-22)19-14-17-10-6-7-11-18(17)26(19)2/h6-8,10-11,14-15H,3-5,9,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyCBDKNHFPZRAKDV-OAHLLOKOSA-N
MW410.54 g/mol
LogP4.72
Rot. Bonds7

About (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 92901955) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID92901955
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H26N4O2S/c1-15(20(27)23-13-12-16-8-4-3-5-9-16)29-22-25-24-21(28-22)19-14-17-10-6-7-11-18(17)26(19)2/h6-8,10-11,14-15H,3-5,9,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyCBDKNHFPZRAKDV-OAHLLOKOSA-N
XLogP4.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7562763
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2084742
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2085010
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18076608
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 112777640
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7856966
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 5029026
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4814925
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7247470
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 17437931
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 42970539
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7801982

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 92901955) is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is CBDKNHFPZRAKDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15(20(27)23-13-12-16-8-4-3-5-9-16)29-22-25-24-21(28-22)19-14-17-10-6-7-11-18(17)26(19)2/h6-8,10-11,14-15H,3-5,9,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 410.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 92901955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).