6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C22H25N3O5S — CID 141331217

IUPAC6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccc(OC)c3)c(=O)c2c1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)21(26)19(14-23-20)22(27)24-13-15-7-6-8-16(11-15)30-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGWKNVKLZEKCOFR-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.50
Rot. Bonds8

About 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 141331217) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID141331217
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccc(OC)c3)c(=O)c2c1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)21(26)19(14-23-20)22(27)24-13-15-7-6-8-16(11-15)30-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGWKNVKLZEKCOFR-UHFFFAOYSA-N
XLogP2.50
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 3413662
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
N-[(2-chlorophenyl)methyl]-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15993696
1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
CID 53136005
6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 141331217) is 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccc(OC)c3)c(=O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GWKNVKLZEKCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)21(26)19(14-23-20)22(27)24-13-15-7-6-8-16(11-15)30-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 141331217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).