[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C27H27N3O6S — CID 4845160

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1C
InChIInChI=1S/C27H27N3O6S/c1-4-30(5-2)37(33,34)25-15-19(13-12-18(25)3)28-26(31)17-36-27(32)21-16-23(24-11-8-14-35-24)29-22-10-7-6-9-20(21)22/h6-16H,4-5,17H2,1-3H3,(H,28,31)
InChIKeyNKDUCTCMEMVLJW-UHFFFAOYSA-N
MW521.60 g/mol
LogP4.63
Rot. Bonds9

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 4845160) has the molecular formula C27H27N3O6S and a molecular weight of 521.60 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID4845160
Molecular FormulaC27H27N3O6S
Molecular Weight521.60 g/mol
Exact Mass521.16
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1C
InChIInChI=1S/C27H27N3O6S/c1-4-30(5-2)37(33,34)25-15-19(13-12-18(25)3)28-26(31)17-36-27(32)21-16-23(24-11-8-14-35-24)29-22-10-7-6-9-20(21)22/h6-16H,4-5,17H2,1-3H3,(H,28,31)
InChIKeyNKDUCTCMEMVLJW-UHFFFAOYSA-N
XLogP4.63
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23876555
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2466613
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533597
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 16570848
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 3413148
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate
CID 16543286
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 4845160) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is NKDUCTCMEMVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6S/c1-4-30(5-2)37(33,34)25-15-19(13-12-18(25)3)28-26(31)17-36-27(32)21-16-23(24-11-8-14-35-24)29-22-10-7-6-9-20(21)22/h6-16H,4-5,17H2,1-3H3,(H,28,31).
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 521.60 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 4845160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).