N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H17N3O4S — CID 1326212

IUPACN-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C17H17N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h2-8H,9-11H2,1H3,(H,18,21)
InChIKeyMRYALCVEKNGGIC-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.67
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1326212) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1326212
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C17H17N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h2-8H,9-11H2,1H3,(H,18,21)
InChIKeyMRYALCVEKNGGIC-UHFFFAOYSA-N
XLogP2.67
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 652840
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
CID 570879
2-[5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 646201
N-Furan-2-ylmethyl-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 654666
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2579270
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2681244
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
CID 3158865
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3245929
4-methoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 4140680
4-Methoxy-N-[(5-{[2-(morpholin-4-YL)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 4140777
4-Methoxy-N-[(5-{[2-(4-methylpiperidin-1-YL)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 4140778

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1326212) is N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MRYALCVEKNGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-13-6-4-12(5-7-13)9-16-19-20-17(24-16)25-11-15(21)18-10-14-3-2-8-23-14/h2-8H,9-11H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1326212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).