N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide

C18H23N3O6S — CID 55596158

IUPACN-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C18H23N3O6S/c1-25-14-8-7-12(9-15(14)26-2)18-20-17(27-21-18)11-28(23,24)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,19,22)
InChIKeyXTINFVKBHUQPIP-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.73
Rot. Bonds8

About N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide

N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide (PubChem CID 55596158) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide
PubChem CID55596158
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C18H23N3O6S/c1-25-14-8-7-12(9-15(14)26-2)18-20-17(27-21-18)11-28(23,24)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,19,22)
InChIKeyXTINFVKBHUQPIP-UHFFFAOYSA-N
XLogP1.73
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide
CID 55703457
N-cyclopropyl-2-[4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 55409263
3-(3,4-dimethoxyphenyl)-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206961
(3R)-N-cyclopentyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26772896
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55595507
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46276348
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83285433
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-oxobutanamide
CID 3161681

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide (CID 55596158) is N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide is COc1ccc(-c2noc(CS(=O)(=O)CC(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide?
The InChIKey is XTINFVKBHUQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-25-14-8-7-12(9-15(14)26-2)18-20-17(27-21-18)11-28(23,24)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide?
N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 55596158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).