2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole

C17H17N3O3S2 — CID 53127304

IUPAC2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csc(S(=O)(=O)N3CCCc4ccccc43)c2)o1
InChIInChI=1S/C17H17N3O3S2/c1-2-15-18-19-17(23-15)13-10-16(24-11-13)25(21,22)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,10-11H,2,5,7,9H2,1H3
InChIKeyCJFXEGDKZYELFC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.50
Rot. Bonds4

About 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole

2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 53127304) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
PubChem CID53127304
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csc(S(=O)(=O)N3CCCc4ccccc43)c2)o1
InChIInChI=1S/C17H17N3O3S2/c1-2-15-18-19-17(23-15)13-10-16(24-11-13)25(21,22)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,10-11H,2,5,7,9H2,1H3
InChIKeyCJFXEGDKZYELFC-UHFFFAOYSA-N
XLogP3.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
CID 53134895
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2159002
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 126774260
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 78821599
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
CID 6503799
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole (CID 53127304) is 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2csc(S(=O)(=O)N3CCCc4ccccc43)c2)o1.
What is the InChIKey of 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is CJFXEGDKZYELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-15-18-19-17(23-15)13-10-16(24-11-13)25(21,22)20-9-5-7-12-6-3-4-8-14(12)20/h3-4,6,8,10-11H,2,5,7,9H2,1H3.
What are the key properties of 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole?
2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 375.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 53127304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).