N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H24N4O4S — CID 7533559

IUPACN-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C19H24N4O4S/c1-2-26-15-10-8-13(9-11-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,20,21,24,25)
InChIKeyIKUHEKSAHSLSSL-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.39
Rot. Bonds7

About N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7533559) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7533559
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C19H24N4O4S/c1-2-26-15-10-8-13(9-11-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,20,21,24,25)
InChIKeyIKUHEKSAHSLSSL-UHFFFAOYSA-N
XLogP3.39
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4804307
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112775013
N-(cyclohexylcarbamoyl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4823723
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 7533565
N-(cyclopentylcarbamoyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7794604
N-(cyclohexylcarbamoyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562453
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3554440
N-cyclopentyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139685
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170644
(2R)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170645
3-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4258591

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7533559) is N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCOc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)o2)cc1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is IKUHEKSAHSLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-2-26-15-10-8-13(9-11-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,20,21,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7533559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).