2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide

C14H16ClN3O2S2 — CID 2155774

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)s2)o1)NC1CCCCC1
InChIInChI=1S/C14H16ClN3O2S2/c15-11-7-6-10(22-11)13-17-18-14(20-13)21-8-12(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyNJBDSHSRXWGMAD-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.99
Rot. Bonds5

About 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide

2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 2155774) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID2155774
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)s2)o1)NC1CCCCC1
InChIInChI=1S/C14H16ClN3O2S2/c15-11-7-6-10(22-11)13-17-18-14(20-13)21-8-12(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyNJBDSHSRXWGMAD-UHFFFAOYSA-N
XLogP3.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide (CID 2155774) is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide is O=C(CSc1nnc(-c2ccc(Cl)s2)o1)NC1CCCCC1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is NJBDSHSRXWGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c15-11-7-6-10(22-11)13-17-18-14(20-13)21-8-12(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19).
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 357.89 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 2155774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).