N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C20H27N3O2S — CID 78762984

IUPACN-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(C(=O)C(C)Sc1nnc(-c2ccc(C)cc2)o1)C1CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-4-23(17-8-6-5-7-9-17)19(24)15(3)26-20-22-21-18(25-20)16-12-10-14(2)11-13-16/h10-13,15,17H,4-9H2,1-3H3
InChIKeyWOCFGFUBEOBJHA-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.71
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 78762984) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID78762984
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(C(=O)C(C)Sc1nnc(-c2ccc(C)cc2)o1)C1CCCCC1
InChIInChI=1S/C20H27N3O2S/c1-4-23(17-8-6-5-7-9-17)19(24)15(3)26-20-22-21-18(25-20)16-12-10-14(2)11-13-16/h10-13,15,17H,4-9H2,1-3H3
InChIKeyWOCFGFUBEOBJHA-UHFFFAOYSA-N
XLogP4.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029367
(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-cyclohexyl-N-ethyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786708
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7816551
N-benzyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42982138
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635405
(2R)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635419
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7556794
(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
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
(2R)-1-(4-ethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7816494
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 78762984) is N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCN(C(=O)C(C)Sc1nnc(-c2ccc(C)cc2)o1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is WOCFGFUBEOBJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-23(17-8-6-5-7-9-17)19(24)15(3)26-20-22-21-18(25-20)16-12-10-14(2)11-13-16/h10-13,15,17H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 373.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 78762984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).