5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole

C20H22N2O3S2 — CID 53057321

IUPAC5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C20H22N2O3S2/c1-12-13(2)21-25-19(12)18-14(3)26-15(4)20(18)27(23,24)22-11-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyUWZHIUYNFJADAW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.78
Rot. Bonds3

About 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole

5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole (PubChem CID 53057321) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole
PubChem CID53057321
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC Name5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole
SMILESCc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C20H22N2O3S2/c1-12-13(2)21-25-19(12)18-14(3)26-15(4)20(18)27(23,24)22-11-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,7,9,11H2,1-4H3
InChIKeyUWZHIUYNFJADAW-UHFFFAOYSA-N
XLogP4.78
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole (CID 53057321) is 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole is Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole?
The InChIKey is UWZHIUYNFJADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-12-13(2)21-25-19(12)18-14(3)26-15(4)20(18)27(23,24)22-11-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,7,9,11H2,1-4H3.
What are the key properties of 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole?
5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole has a molecular weight of 402.54 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,5-dimethylthiophen-3-yl]-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 53057321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).