N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide

C17H17N3O3S — CID 97089602

IUPACN-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
SMILESC[C@@H](SCC(=O)NCc1ccco1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3S/c1-12(24-11-15(21)18-10-14-8-5-9-22-14)17-19-16(20-23-17)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyYSQGUZYIXQZZKL-GFCCVEGCSA-N
MW343.41 g/mol
LogP3.44
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide (PubChem CID 97089602) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
PubChem CID97089602
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
SMILESC[C@@H](SCC(=O)NCc1ccco1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3S/c1-12(24-11-15(21)18-10-14-8-5-9-22-14)17-19-16(20-23-17)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyYSQGUZYIXQZZKL-GFCCVEGCSA-N
XLogP3.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 92886975
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208521
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 52509273
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide (CID 97089602) is N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide is C[C@@H](SCC(=O)NCc1ccco1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The InChIKey is YSQGUZYIXQZZKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12(24-11-15(21)18-10-14-8-5-9-22-14)17-19-16(20-23-17)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide has a molecular weight of 343.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 97089602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).