N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide

C18H24N2O3S — CID 86800919

IUPACN-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-13-12-16(19-15-9-7-6-8-14(13)15)17(21)20(18(2,3)4)10-11-24(5,22)23/h6-9,12H,10-11H2,1-5H3
InChIKeyUAJDEXMWUQFFRT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.83
Rot. Bonds4

About N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide

N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide (PubChem CID 86800919) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide
PubChem CID86800919
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-13-12-16(19-15-9-7-6-8-14(13)15)17(21)20(18(2,3)4)10-11-24(5,22)23/h6-9,12H,10-11H2,1-5H3
InChIKeyUAJDEXMWUQFFRT-UHFFFAOYSA-N
XLogP2.83
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide (CID 86800919) is N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide is Cc1cc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)nc2ccccc12.
What is the InChIKey of N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide?
The InChIKey is UAJDEXMWUQFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-12-16(19-15-9-7-6-8-14(13)15)17(21)20(18(2,3)4)10-11-24(5,22)23/h6-9,12H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide?
N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-N-(2-methylsulfonylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 86800919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).