N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide

C18H23N3O3S — CID 3435511

IUPACN-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCOc1cccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)o2)c1
InChIInChI=1S/C18H23N3O3S/c1-21(14-8-4-3-5-9-14)16(22)12-25-18-20-19-17(24-18)13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeySHCUZOYQSUOLLW-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.63
Rot. Bonds6

About N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide

N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 3435511) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
PubChem CID3435511
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCOc1cccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)o2)c1
InChIInChI=1S/C18H23N3O3S/c1-21(14-8-4-3-5-9-14)16(22)12-25-18-20-19-17(24-18)13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeySHCUZOYQSUOLLW-UHFFFAOYSA-N
XLogP3.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide (CID 3435511) is N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is COc1cccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)o2)c1.
What is the InChIKey of N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is SHCUZOYQSUOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(14-8-4-3-5-9-14)16(22)12-25-18-20-19-17(24-18)13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide?
N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 361.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 3435511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).