2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide

C15H21N3O2S2 — CID 94800688

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
SMILESCc1nc(CSCC(=O)N[C@H](CC(C)C)c2cccs2)no1
InChIInChI=1S/C15H21N3O2S2/c1-10(2)7-12(13-5-4-6-22-13)17-15(19)9-21-8-14-16-11(3)20-18-14/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyFILRBZGLLCEBAW-GFCCVEGCSA-N
MW339.49 g/mol
LogP3.58
Rot. Bonds8

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide (PubChem CID 94800688) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
PubChem CID94800688
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
SMILESCc1nc(CSCC(=O)N[C@H](CC(C)C)c2cccs2)no1
InChIInChI=1S/C15H21N3O2S2/c1-10(2)7-12(13-5-4-6-22-13)17-15(19)9-21-8-14-16-11(3)20-18-14/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyFILRBZGLLCEBAW-GFCCVEGCSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
methyl 3-(4-bromophenyl)-3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]propanoate
CID 55792123
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
CID 120868060
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide (CID 94800688) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide is Cc1nc(CSCC(=O)N[C@H](CC(C)C)c2cccs2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide?
The InChIKey is FILRBZGLLCEBAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-10(2)7-12(13-5-4-6-22-13)17-15(19)9-21-8-14-16-11(3)20-18-14/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide has a molecular weight of 339.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide is sourced from PubChem (CID 94800688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).