N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C18H19N3O3S — CID 78763834

IUPACN-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2nnc(-c3ccoc3C)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-13-5-7-14(8-6-13)19-16(22)12(3)25-18-21-20-17(24-18)15-9-10-23-11(15)2/h5-10,12H,4H2,1-3H3,(H,19,22)
InChIKeyDAZMNFHIBBQUBG-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.32
Rot. Bonds6

About N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 78763834) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID78763834
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2nnc(-c3ccoc3C)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-13-5-7-14(8-6-13)19-16(22)12(3)25-18-21-20-17(24-18)15-9-10-23-11(15)2/h5-10,12H,4H2,1-3H3,(H,19,22)
InChIKeyDAZMNFHIBBQUBG-UHFFFAOYSA-N
XLogP4.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-ethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682862
(2R)-N-(2-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 92736123
N-(3-acetylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78659328
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 7794363
N-(9-ethylcarbazol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786027
(2R)-N-(ethylcarbamoyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 96555802
(2S)-N-(4-ethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417155
(2S)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30804819
(2R)-N-benzyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30804818
N-(2,5-difluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78653481
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78659296
N-(2-cyanophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78659499

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 78763834) is N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCc1ccc(NC(=O)C(C)Sc2nnc(-c3ccoc3C)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is DAZMNFHIBBQUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-13-5-7-14(8-6-13)19-16(22)12(3)25-18-21-20-17(24-18)15-9-10-23-11(15)2/h5-10,12H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 357.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 78763834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).