N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide

C18H18N4O5S — CID 4152361

IUPACN-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C18H18N4O5S/c1-25-13-6-4-12(5-7-13)17(24)20-10-16-21-22-18(27-16)28-11-15(23)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyOFHXXXPXMBGVRX-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.01
Rot. Bonds9

About N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide

N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 4152361) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID4152361
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccco3)o2)cc1
InChIInChI=1S/C18H18N4O5S/c1-25-13-6-4-12(5-7-13)17(24)20-10-16-21-22-18(27-16)28-11-15(23)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyOFHXXXPXMBGVRX-UHFFFAOYSA-N
XLogP2.01
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide with MolForge

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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
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-(2-furylmethyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 1326212
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
3,4-dimethoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 3242245
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3245929
4-methoxy-N-((5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 3565243
N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-methoxybenzamide
CID 3565538
3,4-dimethoxy-N-((5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 4123696
4-methoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 4140680

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (CID 4152361) is N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccco3)o2)cc1.
What is the InChIKey of N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is OFHXXXPXMBGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-25-13-6-4-12(5-7-13)17(24)20-10-16-21-22-18(27-16)28-11-15(23)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 402.43 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 4152361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).