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

C21H29N3O2S — CID 43029367

IUPACN-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nnc(-c2cc(C)cc(C)c2)o1)C1CCCCC1
InChIInChI=1S/C21H29N3O2S/c1-5-24(18-9-7-6-8-10-18)20(25)16(4)27-21-23-22-19(26-21)17-12-14(2)11-15(3)13-17/h11-13,16,18H,5-10H2,1-4H3
InChIKeyAHWUQVOXDFZHTH-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.02
Rot. Bonds6

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

N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide (PubChem CID 43029367) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
PubChem CID43029367
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nnc(-c2cc(C)cc(C)c2)o1)C1CCCCC1
InChIInChI=1S/C21H29N3O2S/c1-5-24(18-9-7-6-8-10-18)20(25)16(4)27-21-23-22-19(26-21)17-12-14(2)11-15(3)13-17/h11-13,16,18H,5-10H2,1-4H3
InChIKeyAHWUQVOXDFZHTH-UHFFFAOYSA-N
XLogP5.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78762984
(2R)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 9308099
N-benzyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029363
(2R)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635419
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635405
N-cyclohexyl-N-ethyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786708
(2S)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7562531
N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78650893
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
CID 110883458
(2S)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 41271812

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide (CID 43029367) is N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide is CCN(C(=O)C(C)Sc1nnc(-c2cc(C)cc(C)c2)o1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The InChIKey is AHWUQVOXDFZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-5-24(18-9-7-6-8-10-18)20(25)16(4)27-21-23-22-19(26-21)17-12-14(2)11-15(3)13-17/h11-13,16,18H,5-10H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide has a molecular weight of 387.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide is sourced from PubChem (CID 43029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).