2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

C17H21BrN4O3S — CID 17440164

IUPAC2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H21BrN4O3S/c1-4-22(9-14(23)19-11(2)3)15(24)10-26-17-21-20-16(25-17)12-6-5-7-13(18)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyDGRZEXAYEPISTL-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.96
Rot. Bonds8

About 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 17440164) has the molecular formula C17H21BrN4O3S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID17440164
Molecular FormulaC17H21BrN4O3S
Molecular Weight441.35 g/mol
Exact Mass440.05
IUPAC Name2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H21BrN4O3S/c1-4-22(9-14(23)19-11(2)3)15(24)10-26-17-21-20-16(25-17)12-6-5-7-13(18)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyDGRZEXAYEPISTL-UHFFFAOYSA-N
XLogP2.96
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7594821
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 40891739
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 5039246
N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 9345536
2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide
CID 17435061
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7594806
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7661190
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 7533972
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (CID 17440164) is 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is DGRZEXAYEPISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O3S/c1-4-22(9-14(23)19-11(2)3)15(24)10-26-17-21-20-16(25-17)12-6-5-7-13(18)8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 441.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17440164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).