1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

C24H32N2O3S — CID 138673310

IUPAC1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C24H32N2O3S/c1-5-14-26-22-12-8-19(15-20(22)9-13-23(26)27)16-25-30(28,29)17-18-6-10-21(11-7-18)24(2,3)4/h6-8,10-12,15,25H,5,9,13-14,16-17H2,1-4H3
InChIKeyCPYPGFQPQVNXIS-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.29
Rot. Bonds7

About 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (PubChem CID 138673310) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
PubChem CID138673310
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C24H32N2O3S/c1-5-14-26-22-12-8-19(15-20(22)9-13-23(26)27)16-25-30(28,29)17-18-6-10-21(11-7-18)24(2,3)4/h6-8,10-12,15,25H,5,9,13-14,16-17H2,1-4H3
InChIKeyCPYPGFQPQVNXIS-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (CID 138673310) is 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is CCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The InChIKey is CPYPGFQPQVNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-5-14-26-22-12-8-19(15-20(22)9-13-23(26)27)16-25-30(28,29)17-18-6-10-21(11-7-18)24(2,3)4/h6-8,10-12,15,25H,5,9,13-14,16-17H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is sourced from PubChem (CID 138673310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).