N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H21N3O5S — CID 9405111

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(-c3ccoc3C)o2)c1
InChIInChI=1S/C19H21N3O5S/c1-11(15-9-13(24-3)5-6-16(15)25-4)20-17(23)10-28-19-22-21-18(27-19)14-7-8-26-12(14)2/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m1/s1
InChIKeyLIIVPCLUJYBLEG-LLVKDONJSA-N
MW403.46 g/mol
LogP3.62
Rot. Bonds8

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 9405111) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID9405111
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(-c3ccoc3C)o2)c1
InChIInChI=1S/C19H21N3O5S/c1-11(15-9-13(24-3)5-6-16(15)25-4)20-17(23)10-28-19-22-21-18(27-19)14-7-8-26-12(14)2/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m1/s1
InChIKeyLIIVPCLUJYBLEG-LLVKDONJSA-N
XLogP3.62
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262700
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78659380
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 17461667
N-[(2S)-butan-2-yl]-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7661344
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3940860
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 8806676
N-[(1S)-1-cyclopropylethyl]-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8644404
N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404979
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749914
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 46266261

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 9405111) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc(-c3ccoc3C)o2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LIIVPCLUJYBLEG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-11(15-9-13(24-3)5-6-16(15)25-4)20-17(23)10-28-19-22-21-18(27-19)14-7-8-26-12(14)2/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 9405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).