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

C27H26N2O5S — CID 1437026

IUPAC3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C27H26N2O5S/c1-18-7-9-20(10-8-18)16-29(35(32,33)25-6-4-5-21(14-25)19(2)30)17-23-13-22-11-12-24(34-3)15-26(22)28-27(23)31/h4-15H,16-17H2,1-3H3,(H,28,31)
InChIKeyVULDHDNJVDQQRA-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.44
Rot. Bonds8

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

3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 1437026) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID1437026
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1
InChIInChI=1S/C27H26N2O5S/c1-18-7-9-20(10-8-18)16-29(35(32,33)25-6-4-5-21(14-25)19(2)30)17-23-13-22-11-12-24(34-3)15-26(22)28-27(23)31/h4-15H,16-17H2,1-3H3,(H,28,31)
InChIKeyVULDHDNJVDQQRA-UHFFFAOYSA-N
XLogP4.44
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1162466
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-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
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
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164984
3-acetyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 3184164
ethyl 3-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1164906
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164018

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 1437026) is 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1ccc2cc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3cccc(C(C)=O)c3)c(=O)[nH]c2c1.
What is the InChIKey of 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is VULDHDNJVDQQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-18-7-9-20(10-8-18)16-29(35(32,33)25-6-4-5-21(14-25)19(2)30)17-23-13-22-11-12-24(34-3)15-26(22)28-27(23)31/h4-15H,16-17H2,1-3H3,(H,28,31).
What are the key properties of 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide?
3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 490.58 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 1437026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).