3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C24H26N2O7S — CID 3203447

IUPAC3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C24H26N2O7S/c1-16(27)17-4-3-5-22(11-17)34(29,30)26(14-21-15-32-8-9-33-21)13-19-10-18-6-7-20(31-2)12-23(18)25-24(19)28/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,28)
InChIKeyMLNRRMCTFIBFMX-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.35
Rot. Bonds8

About 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 3203447) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID3203447
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC Name3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C24H26N2O7S/c1-16(27)17-4-3-5-22(11-17)34(29,30)26(14-21-15-32-8-9-33-21)13-19-10-18-6-7-20(31-2)12-23(18)25-24(19)28/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,28)
InChIKeyMLNRRMCTFIBFMX-UHFFFAOYSA-N
XLogP2.35
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1437034
3-acetyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184135
4-chloro-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 655996
3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1162466
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 1437036
3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 1437026
3-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 1165567
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 3203422
4-acetyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184134
3-acetyl-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183909
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373419

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 3203447) is 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1.
What is the InChIKey of 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is MLNRRMCTFIBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-16(27)17-4-3-5-22(11-17)34(29,30)26(14-21-15-32-8-9-33-21)13-19-10-18-6-7-20(31-2)12-23(18)25-24(19)28/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,28).
What are the key properties of 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 486.55 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3203447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).