N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide

C20H25N3O3S — CID 9487650

IUPACN-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)18(25)21-16-10-8-14(9-11-16)17(24)12-27-20-23-22-19(26-20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyCUYNCSJUQVLXNG-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.69
Rot. Bonds7

About N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide

N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide (PubChem CID 9487650) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
PubChem CID9487650
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)18(25)21-16-10-8-14(9-11-16)17(24)12-27-20-23-22-19(26-20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyCUYNCSJUQVLXNG-UHFFFAOYSA-N
XLogP4.69
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 8506030
(3R)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8511054
(3S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8511061
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 7957401
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
(2S)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9487644
N-[4-[2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 4538585
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
CID 16820583
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7957420
N-[4-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propanamide
CID 43031702
1-(4-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 42988116

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide (CID 9487650) is N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1.
What is the InChIKey of N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide?
The InChIKey is CUYNCSJUQVLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(2)18(25)21-16-10-8-14(9-11-16)17(24)12-27-20-23-22-19(26-20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide?
N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide has a molecular weight of 387.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 9487650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).