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

C22H24N2O5S — CID 24850392

IUPAC4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-15-5-3-6-18-13-19(22(27)23-21(15)18)14-24(11-4-12-25)30(28,29)20-9-7-17(8-10-20)16(2)26/h3,5-10,13,25H,4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyNVGIKAZIUUMCLO-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.61
Rot. Bonds8

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

4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 24850392) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID24850392
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C22H24N2O5S/c1-15-5-3-6-18-13-19(22(27)23-21(15)18)14-24(11-4-12-25)30(28,29)20-9-7-17(8-10-20)16(2)26/h3,5-10,13,25H,4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyNVGIKAZIUUMCLO-UHFFFAOYSA-N
XLogP2.61
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 68901888
4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
CID 3190608
4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161747
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 3184054
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 24850393
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3149286
4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324404
ethyl 4-[3-hydroxypropyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183836
N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
CID 68904786
4-acetyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1162247
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1169987

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 24850392) is 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is NVGIKAZIUUMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-15-5-3-6-18-13-19(22(27)23-21(15)18)14-24(11-4-12-25)30(28,29)20-9-7-17(8-10-20)16(2)26/h3,5-10,13,25H,4,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24850392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).