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

C23H25N3O4S — CID 18202665

IUPACN-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(OC)cc3)C3CC3)o2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-29-20-12-6-17(7-13-20)22-24-25-23(30-22)31-15-21(27)26(18-8-9-18)14-16-4-10-19(28-2)11-5-16/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3
InChIKeyKPCYMRDQTDIAIU-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.43
Rot. Bonds10

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

N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 18202665) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID18202665
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(OC)cc3)C3CC3)o2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-29-20-12-6-17(7-13-20)22-24-25-23(30-22)31-15-21(27)26(18-8-9-18)14-16-4-10-19(28-2)11-5-16/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3
InChIKeyKPCYMRDQTDIAIU-UHFFFAOYSA-N
XLogP4.43
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9298644
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 60601234
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33079243
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 18193555
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 46552672
N-[(6-chloro-3-pyridinyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 78863654
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9018994
N-(cyclohexylcarbamoyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7533559
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3554440
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17482656
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 860263

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 18202665) is N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is CCOc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(OC)cc3)C3CC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KPCYMRDQTDIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-3-29-20-12-6-17(7-13-20)22-24-25-23(30-22)31-15-21(27)26(18-8-9-18)14-16-4-10-19(28-2)11-5-16/h4-7,10-13,18H,3,8-9,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18202665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).