1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C25H34N4O4S — CID 16598313

IUPAC1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)cc1
InChIInChI=1S/C25H34N4O4S/c1-5-29(6-2)34(32,33)20-14-12-19(13-15-20)27-24(30)17-28-16-8-10-21-22(9-7-11-23(21)28)25(31)26-18(3)4/h7,9,11-15,18H,5-6,8,10,16-17H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyJJJITNPLDTXWEY-UHFFFAOYSA-N
MW486.64 g/mol
LogP3.25
Rot. Bonds9

About 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598313) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598313
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)cc1
InChIInChI=1S/C25H34N4O4S/c1-5-29(6-2)34(32,33)20-14-12-19(13-15-20)27-24(30)17-28-16-8-10-21-22(9-7-11-23(21)28)25(31)26-18(3)4/h7,9,11-15,18H,5-6,8,10,16-17H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyJJJITNPLDTXWEY-UHFFFAOYSA-N
XLogP3.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

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Related Compounds

1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598308
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598424
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598383
1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598487
1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598522
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
N-[4-(diethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681860
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 11931064

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598313) is 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3c(C(=O)NC(C)C)cccc32)cc1.
What is the InChIKey of 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is JJJITNPLDTXWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-5-29(6-2)34(32,33)20-14-12-19(13-15-20)27-24(30)17-28-16-8-10-21-22(9-7-11-23(21)28)25(31)26-18(3)4/h7,9,11-15,18H,5-6,8,10,16-17H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).