N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H20ClN3O3S — CID 18555185

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)o1
InChIInChI=1S/C18H20ClN3O3S/c1-24-15-5-4-12(19)8-13(15)17-21-22-18(25-17)26-9-16(23)20-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,11-,14+/m1/s1
InChIKeyMSBCKQOUAYBQLU-GYSYKLTISA-N
MW393.90 g/mol
LogP3.80
Rot. Bonds6

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 18555185) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID18555185
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)o1
InChIInChI=1S/C18H20ClN3O3S/c1-24-15-5-4-12(19)8-13(15)17-21-22-18(25-17)26-9-16(23)20-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,11-,14+/m1/s1
InChIKeyMSBCKQOUAYBQLU-GYSYKLTISA-N
XLogP3.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11903614
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 125042615
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11903611
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7030064
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7375254
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 125042593
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644552
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 99944226
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7534311
N-cyclopentyl-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78765869
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644827
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11881778

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 18555185) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(Cl)cc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)o1.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MSBCKQOUAYBQLU-GYSYKLTISA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-24-15-5-4-12(19)8-13(15)17-21-22-18(25-17)26-9-16(23)20-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,11-,14+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).