N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

C18H24N4O3S — CID 9345536

IUPACN,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CSc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C18H24N4O3S/c1-5-22(6-2)15(23)11-21(4)16(24)12-26-18-20-19-17(25-18)14-9-7-8-13(3)10-14/h7-10H,5-6,11-12H2,1-4H3
InChIKeyRKRMTIKUCLTETM-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.46
Rot. Bonds8

About N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide

N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 9345536) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID9345536
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CSc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C18H24N4O3S/c1-5-22(6-2)15(23)11-21(4)16(24)12-26-18-20-19-17(25-18)14-9-7-8-13(3)10-14/h7-10H,5-6,11-12H2,1-4H3
InChIKeyRKRMTIKUCLTETM-UHFFFAOYSA-N
XLogP2.46
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 4241304
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 865831
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-propylphenyl)ethanone
CID 7417171
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 17440164
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
CID 1374137
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9458769
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 3341633
1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7682773
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1139569
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 9345536) is N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is CCN(CC)C(=O)CN(C)C(=O)CSc1nnc(-c2cccc(C)c2)o1.
What is the InChIKey of N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is RKRMTIKUCLTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-5-22(6-2)15(23)11-21(4)16(24)12-26-18-20-19-17(25-18)14-9-7-8-13(3)10-14/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9345536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).