N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C20H24N4O2S — CID 78650893

IUPACN-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cc(C)cc(-c2nnc(SC(C)C(=O)NC3(C#N)CCCCC3)o2)c1
InChIInChI=1S/C20H24N4O2S/c1-13-9-14(2)11-16(10-13)18-23-24-19(26-18)27-15(3)17(25)22-20(12-21)7-5-4-6-8-20/h9-11,15H,4-8H2,1-3H3,(H,22,25)
InChIKeyBTMNZYLAZIAJKI-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.18
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 78650893) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID78650893
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cc(C)cc(-c2nnc(SC(C)C(=O)NC3(C#N)CCCCC3)o2)c1
InChIInChI=1S/C20H24N4O2S/c1-13-9-14(2)11-16(10-13)18-23-24-19(26-18)27-15(3)17(25)22-20(12-21)7-5-4-6-8-20/h9-11,15H,4-8H2,1-3H3,(H,22,25)
InChIKeyBTMNZYLAZIAJKI-UHFFFAOYSA-N
XLogP4.18
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1-cyanocyclohexyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826546
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683520
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9362265
(2S)-N-(1-cyanocyclohexyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9344847
(2S)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855641
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855642
(2S)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7562531
N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029367
(2R)-N-(4-acetylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7801702
(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8633916
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2S)-N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9308008

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 78650893) is N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1cc(C)cc(-c2nnc(SC(C)C(=O)NC3(C#N)CCCCC3)o2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is BTMNZYLAZIAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-9-14(2)11-16(10-13)18-23-24-19(26-18)27-15(3)17(25)22-20(12-21)7-5-4-6-8-20/h9-11,15H,4-8H2,1-3H3,(H,22,25).
What are the key properties of N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 384.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 78650893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).