3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C26H24N2O5S — CID 1162466

IUPAC3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H24N2O5S/c1-18(29)20-9-6-10-24(14-20)34(31,32)28(16-19-7-4-3-5-8-19)17-22-13-21-11-12-23(33-2)15-25(21)27-26(22)30/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyIKPXGZXZAHUHCJ-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.13
Rot. Bonds8

About 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 1162466) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID1162466
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C26H24N2O5S/c1-18(29)20-9-6-10-24(14-20)34(31,32)28(16-19-7-4-3-5-8-19)17-22-13-21-11-12-23(33-2)15-25(21)27-26(22)30/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyIKPXGZXZAHUHCJ-UHFFFAOYSA-N
XLogP4.13
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-acetyl-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3203447
3-acetyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 3184164
3-acetyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184135
4-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184252
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
ethyl 3-[benzyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate
CID 1165640
N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164018
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2028486

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 1162466) is 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is COc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1.
What is the InChIKey of 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is IKPXGZXZAHUHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-18(29)20-9-6-10-24(14-20)34(31,32)28(16-19-7-4-3-5-8-19)17-22-13-21-11-12-23(33-2)15-25(21)27-26(22)30/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 476.55 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1162466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).