3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C24H20N2O6S2 — CID 3184249

IUPAC3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1
InChIInChI=1S/C24H20N2O6S2/c1-15(27)16-4-2-6-20(9-16)34(29,30)26(13-19-5-3-7-33-19)12-18-8-17-10-22-23(32-14-31-22)11-21(17)25-24(18)28/h2-11H,12-14H2,1H3,(H,25,28)
InChIKeyAVXFEHGUCTWEDR-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.91
Rot. Bonds7

About 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3184249) has the molecular formula C24H20N2O6S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3184249
Molecular FormulaC24H20N2O6S2
Molecular Weight496.57 g/mol
Exact Mass496.08
IUPAC Name3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1
InChIInChI=1S/C24H20N2O6S2/c1-15(27)16-4-2-6-20(9-16)34(29,30)26(13-19-5-3-7-33-19)12-18-8-17-10-22-23(32-14-31-22)11-21(17)25-24(18)28/h2-11H,12-14H2,1H3,(H,25,28)
InChIKeyAVXFEHGUCTWEDR-UHFFFAOYSA-N
XLogP3.91
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)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

3-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 1165567
3-acetyl-N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184260
4-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184252
methyl 3-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1162317
ethyl 3-[benzyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate
CID 1165640
methyl 3-[(4-fluorophenyl)methyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate
CID 1165730
5-chloro-2-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1165783
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161660
3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1162466
ethyl 4-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 3184182
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
3-acetyl-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183909

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3184249) is 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1.
What is the InChIKey of 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AVXFEHGUCTWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S2/c1-15(27)16-4-2-6-20(9-16)34(29,30)26(13-19-5-3-7-33-19)12-18-8-17-10-22-23(32-14-31-22)11-21(17)25-24(18)28/h2-11H,12-14H2,1H3,(H,25,28).
What are the key properties of 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 496.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).