N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

C14H23N3O2S2 — CID 78846605

IUPACN-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCSCc1nnc(SC(C(=O)NC2CCCC2)C(C)C)o1
InChIInChI=1S/C14H23N3O2S2/c1-9(2)12(13(18)15-10-6-4-5-7-10)21-14-17-16-11(19-14)8-20-3/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyNAOCJWWNORGABC-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.11
Rot. Bonds7

About N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (PubChem CID 78846605) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
PubChem CID78846605
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCSCc1nnc(SC(C(=O)NC2CCCC2)C(C)C)o1
InChIInChI=1S/C14H23N3O2S2/c1-9(2)12(13(18)15-10-6-4-5-7-10)21-14-17-16-11(19-14)8-20-3/h9-10,12H,4-8H2,1-3H3,(H,15,18)
InChIKeyNAOCJWWNORGABC-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide with MolForge

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Related Compounds

N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78846580
N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 78844460
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 47132288
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374399
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
N-cyclopentyl-3-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 86920594
N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 134010666
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24574345
(2R)-N-cyclopropyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810568
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide
CID 94147637

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (CID 78846605) is N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is CSCc1nnc(SC(C(=O)NC2CCCC2)C(C)C)o1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The InChIKey is NAOCJWWNORGABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-9(2)12(13(18)15-10-6-4-5-7-10)21-14-17-16-11(19-14)8-20-3/h9-10,12H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide has a molecular weight of 329.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is sourced from PubChem (CID 78846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).