N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide

C23H27N3O5S — CID 68901888

IUPACN-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCOCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-16-6-4-7-18-14-19(23(28)25-22(16)18)15-26(12-5-13-31-3)32(29,30)21-10-8-20(9-11-21)24-17(2)27/h4,6-11,14H,5,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyHNDVFXDZTREBQH-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.02
Rot. Bonds9

About N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 68901888) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID68901888
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
SMILESCOCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H27N3O5S/c1-16-6-4-7-18-14-19(23(28)25-22(16)18)15-26(12-5-13-31-3)32(29,30)21-10-8-20(9-11-21)24-17(2)27/h4,6-11,14H,5,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyHNDVFXDZTREBQH-UHFFFAOYSA-N
XLogP3.02
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 24850392
N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
CID 68904786
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 24850393
N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1374886
N-[4-[methyl-[(2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 4902121
4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324404
2-methoxy-N-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1425529
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3149286
1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194358
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 941828
4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
CID 3190608

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide (CID 68901888) is N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide is COCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is HNDVFXDZTREBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-6-4-7-18-14-19(23(28)25-22(16)18)15-26(12-5-13-31-3)32(29,30)21-10-8-20(9-11-21)24-17(2)27/h4,6-11,14H,5,12-13,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 457.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 68901888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).