5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole

C17H16N2O3S2 — CID 20936215

IUPAC5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)s2)on1
InChIInChI=1S/C17H16N2O3S2/c1-12-10-15(22-18-12)16-6-7-17(23-16)24(20,21)19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11H2,1H3
InChIKeyLFDXSCIBSGYBJP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.46
Rot. Bonds3

About 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole

5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 20936215) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID20936215
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)s2)on1
InChIInChI=1S/C17H16N2O3S2/c1-12-10-15(22-18-12)16-6-7-17(23-16)24(20,21)19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11H2,1H3
InChIKeyLFDXSCIBSGYBJP-UHFFFAOYSA-N
XLogP3.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole with MolForge

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Related Compounds

2-[(5-Thien-2-ylisoxazol-3-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3240870
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
1-(2,5-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936213
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole (CID 20936215) is 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)s2)on1.
What is the InChIKey of 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is LFDXSCIBSGYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12-10-15(22-18-12)16-6-7-17(23-16)24(20,21)19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 360.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).