4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C25H24FN3O4S — CID 17394971

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C25H24FN3O4S/c1-28(17-24(30)27-21-12-10-20(26)11-13-21)25(31)19-8-14-22(15-9-19)34(32,33)29-16-4-6-18-5-2-3-7-23(18)29/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,27,30)
InChIKeyIDDSCOZJQBOPLR-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.68
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 17394971) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID17394971
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C25H24FN3O4S/c1-28(17-24(30)27-21-12-10-20(26)11-13-21)25(31)19-8-14-22(15-9-19)34(32,33)29-16-4-6-18-5-2-3-7-23(18)29/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,27,30)
InChIKeyIDDSCOZJQBOPLR-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081675
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate
CID 25237394
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 17394971) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is IDDSCOZJQBOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-28(17-24(30)27-21-12-10-20(26)11-13-21)25(31)19-8-14-22(15-9-19)34(32,33)29-16-4-6-18-5-2-3-7-23(18)29/h2-3,5,7-15H,4,6,16-17H2,1H3,(H,27,30).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 481.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 17394971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).