N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H16Cl2N4O5S — CID 4854341

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(-c2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)o2)cc(OC)c1OC
InChIInChI=1S/C18H16Cl2N4O5S/c1-26-12-4-9(5-13(27-2)15(12)28-3)17-23-24-18(29-17)30-8-14(25)22-16-11(20)6-10(19)7-21-16/h4-7H,8H2,1-3H3,(H,21,22,25)
InChIKeyMSFRIUVMSONENA-UHFFFAOYSA-N
MW471.32 g/mol
LogP4.20
Rot. Bonds8

About N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4854341) has the molecular formula C18H16Cl2N4O5S and a molecular weight of 471.32 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4854341
Molecular FormulaC18H16Cl2N4O5S
Molecular Weight471.32 g/mol
Exact Mass470.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(-c2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)o2)cc(OC)c1OC
InChIInChI=1S/C18H16Cl2N4O5S/c1-26-12-4-9(5-13(27-2)15(12)28-3)17-23-24-18(29-17)30-8-14(25)22-16-11(20)6-10(19)7-21-16/h4-7H,8H2,1-3H3,(H,21,22,25)
InChIKeyMSFRIUVMSONENA-UHFFFAOYSA-N
XLogP4.20
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4,6-trichlorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2524171
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536524
N-(4-chloro-2-fluorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536659
N-(2,6-difluorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536640
N-[(2R)-butan-2-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7857408
N-[(2S)-butan-2-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7857409
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 4222244
N-(3-cyanothiophen-2-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536549
N-[(4-methoxyphenyl)methyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536681
N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536660
2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 155808999
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 3585457

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4854341) is N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cc(-c2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)o2)cc(OC)c1OC.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MSFRIUVMSONENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O5S/c1-26-12-4-9(5-13(27-2)15(12)28-3)17-23-24-18(29-17)30-8-14(25)22-16-11(20)6-10(19)7-21-16/h4-7H,8H2,1-3H3,(H,21,22,25).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 471.32 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4854341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).