4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide

C25H32N2O4S — CID 3190608

IUPAC4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H32N2O4S/c1-17-7-8-19-15-20(24(29)26-23(19)18(17)2)16-27(13-6-14-28)32(30,31)22-11-9-21(10-12-22)25(3,4)5/h7-12,15,28H,6,13-14,16H2,1-5H3,(H,26,29)
InChIKeyVGMCRWXOFMOGLN-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.02
Rot. Bonds7

About 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide

4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 3190608) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID3190608
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H32N2O4S/c1-17-7-8-19-15-20(24(29)26-23(19)18(17)2)16-27(13-6-14-28)32(30,31)22-11-9-21(10-12-22)25(3,4)5/h7-12,15,28H,6,13-14,16H2,1-5H3,(H,26,29)
InChIKeyVGMCRWXOFMOGLN-UHFFFAOYSA-N
XLogP4.02
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 24850392
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 3184054
4-tert-butyl-N-(2-hydroxyethyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
CID 1432334
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 860672
N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-hydroxyethyl)thiourea
CID 3171087
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
4-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3186058
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
ethyl 4-[3-hydroxypropyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183836
ethyl 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(2-methylphenyl)ethyl]sulfamoyl]benzoate
CID 3183952
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161998

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide (CID 3190608) is 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide is Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C.
What is the InChIKey of 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is VGMCRWXOFMOGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-17-7-8-19-15-20(24(29)26-23(19)18(17)2)16-27(13-6-14-28)32(30,31)22-11-9-21(10-12-22)25(3,4)5/h7-12,15,28H,6,13-14,16H2,1-5H3,(H,26,29).
What are the key properties of 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide?
4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 3190608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).