(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

C23H35N3O2S — CID 11945690

IUPAC(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C23H35N3O2S/c1-13-5-4-6-19(14(13)2)24-20(27)15(3)29-22-26-25-21(28-22)23-10-16-7-17(11-23)9-18(8-16)12-23/h13-19H,4-12H2,1-3H3,(H,24,27)/t13-,14-,15-,16?,17?,18?,19-,23?/m1/s1
InChIKeyYYMBMUMWCAIAQT-WOVLXHIPSA-N
MW417.62 g/mol
LogP4.96
Rot. Bonds5

About (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11945690) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11945690
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC Name(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C23H35N3O2S/c1-13-5-4-6-19(14(13)2)24-20(27)15(3)29-22-26-25-21(28-22)23-10-16-7-17(11-23)9-18(8-16)12-23/h13-19H,4-12H2,1-3H3,(H,24,27)/t13-,14-,15-,16?,17?,18?,19-,23?/m1/s1
InChIKeyYYMBMUMWCAIAQT-WOVLXHIPSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11916493
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 99845157
(2R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633221
(2R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633225
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 129420773
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11909705
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11917177
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11930537
(2R)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11945146
(2R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 11926010
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932492
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 100846391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (CID 11945690) is (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is YYMBMUMWCAIAQT-WOVLXHIPSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-13-5-4-6-19(14(13)2)24-20(27)15(3)29-22-26-25-21(28-22)23-10-16-7-17(11-23)9-18(8-16)12-23/h13-19H,4-12H2,1-3H3,(H,24,27)/t13-,14-,15-,16?,17?,18?,19-,23?/m1/s1.
What are the key properties of (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 417.62 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11945690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).