3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide

C20H21FN2O4S — CID 20855778

IUPAC3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C20H21FN2O4S/c1-14(24)23-10-3-4-15-12-18(7-8-19(15)23)28(26,27)11-9-20(25)22-17-6-2-5-16(21)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3,(H,22,25)
InChIKeyPBMWGDAIJQIWDX-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.93
Rot. Bonds5

About 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide

3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide (PubChem CID 20855778) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
PubChem CID20855778
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21
InChIInChI=1S/C20H21FN2O4S/c1-14(24)23-10-3-4-15-12-18(7-8-19(15)23)28(26,27)11-9-20(25)22-17-6-2-5-16(21)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3,(H,22,25)
InChIKeyPBMWGDAIJQIWDX-UHFFFAOYSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
CID 20855786
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53124712
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
CID 110299974
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 15993621
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide (CID 20855778) is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide is CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21.
What is the InChIKey of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is PBMWGDAIJQIWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-14(24)23-10-3-4-15-12-18(7-8-19(15)23)28(26,27)11-9-20(25)22-17-6-2-5-16(21)13-17/h2,5-8,12-13H,3-4,9-11H2,1H3,(H,22,25).
What are the key properties of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide?
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide has a molecular weight of 404.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 20855778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).