2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H17N3O2S — CID 648574

IUPAC2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17N3O2S/c1-3-12-9-13-6-4-5-7-14(13)18-17(12)23-10-16(21)19-15-8-11(2)22-20-15/h4-9H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyAJQDJWPKSULOFO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 648574) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID648574
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H17N3O2S/c1-3-12-9-13-6-4-5-7-14(13)18-17(12)23-10-16(21)19-15-8-11(2)22-20-15/h4-9H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyAJQDJWPKSULOFO-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
N-(5-chloro-2-methoxyphenyl)-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 3207915
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43817325
N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
CID 7549526
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
CID 3224602
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 648574) is 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AJQDJWPKSULOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-12-9-13-6-4-5-7-14(13)18-17(12)23-10-16(21)19-15-8-11(2)22-20-15/h4-9H,3,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 648574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).