3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide

C17H20ClN3O2S — CID 55528188

IUPAC3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
SMILESCc1nc(C2(NC(=O)CCSc3ccc(Cl)cc3)CCCC2)no1
InChIInChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-2-3-10-17)20-15(22)8-11-24-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyHSNVXHGMPWOGOY-UHFFFAOYSA-N
MW365.89 g/mol
LogP4.10
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide (PubChem CID 55528188) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
PubChem CID55528188
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
SMILESCc1nc(C2(NC(=O)CCSc3ccc(Cl)cc3)CCCC2)no1
InChIInChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-2-3-10-17)20-15(22)8-11-24-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyHSNVXHGMPWOGOY-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 71899000
2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55622366
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
CID 86998426
2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
CID 78863893

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide (CID 55528188) is 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide is Cc1nc(C2(NC(=O)CCSc3ccc(Cl)cc3)CCCC2)no1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?
The InChIKey is HSNVXHGMPWOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-2-3-10-17)20-15(22)8-11-24-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide has a molecular weight of 365.89 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide is sourced from PubChem (CID 55528188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).