6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide

C22H25N3O5S — CID 32638443

IUPAC6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cccc(COC)c3)c2c1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)19(13-21(26)24-20)22(27)23-16-8-6-7-15(11-16)14-30-3/h6-13H,4-5,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeySLIUAUSWIKOQHS-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.96
Rot. Bonds8

About 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide

6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 32638443) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID32638443
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cccc(COC)c3)c2c1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)19(13-21(26)24-20)22(27)23-16-8-6-7-15(11-16)14-30-3/h6-13H,4-5,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeySLIUAUSWIKOQHS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55786394
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55333768
N-[3-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261705
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide (CID 32638443) is 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cccc(COC)c3)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SLIUAUSWIKOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-25(5-2)31(28,29)17-9-10-20-18(12-17)19(13-21(26)24-20)22(27)23-16-8-6-7-15(11-16)14-30-3/h6-13H,4-5,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.96, 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-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 32638443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).