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

C19H22N2O5S — CID 110299974

IUPAC3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-9-2-4-15-12-17(6-7-18(15)21)27(24,25)11-8-19(23)20-13-16-5-3-10-26-16/h3,5-7,10,12H,2,4,8-9,11,13H2,1H3,(H,20,23)
InChIKeyMNSMAWACNGLLKV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.06
Rot. Bonds6

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

3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 110299974) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID110299974
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-9-2-4-15-12-17(6-7-18(15)21)27(24,25)11-8-19(23)20-13-16-5-3-10-26-16/h3,5-7,10,12H,2,4,8-9,11,13H2,1H3,(H,20,23)
InChIKeyMNSMAWACNGLLKV-UHFFFAOYSA-N
XLogP2.06
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 22583517
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
CID 20855786
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 126459390

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide (CID 110299974) is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide is CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21.
What is the InChIKey of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is MNSMAWACNGLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(22)21-9-2-4-15-12-17(6-7-18(15)21)27(24,25)11-8-19(23)20-13-16-5-3-10-26-16/h3,5-7,10,12H,2,4,8-9,11,13H2,1H3,(H,20,23).
What are the key properties of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 110299974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).