4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

C23H26N2O4S — CID 3149286

IUPAC4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)CC2CCCO2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-8-10-21(11-9-16)30(27,28)25(15-20-7-4-12-29-20)14-19-13-18-6-3-5-17(2)22(18)24-23(19)26/h3,5-6,8-11,13,20H,4,7,12,14-15H2,1-2H3,(H,24,26)
InChIKeyJBKIOVFYFWCRIL-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3149286) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3149286
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)CC2CCCO2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-8-10-21(11-9-16)30(27,28)25(15-20-7-4-12-29-20)14-19-13-18-6-3-5-17(2)22(18)24-23(19)26/h3,5-6,8-11,13,20H,4,7,12,14-15H2,1-2H3,(H,24,26)
InChIKeyJBKIOVFYFWCRIL-UHFFFAOYSA-N
XLogP3.51
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168773
4-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3186058
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
4-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1073171
4-acetyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1162247
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168709
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183997
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1162029
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1445627
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzoate
CID 1162423

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3149286) is 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)CC2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JBKIOVFYFWCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16-8-10-21(11-9-16)30(27,28)25(15-20-7-4-12-29-20)14-19-13-18-6-3-5-17(2)22(18)24-23(19)26/h3,5-6,8-11,13,20H,4,7,12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3149286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).