2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide

C24H31N3O4S — CID 3236250

IUPAC2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21
InChIInChI=1S/C24H31N3O4S/c1-16(2)23(24(29)25-17(3)19-9-6-5-7-10-19)26-32(30,31)21-12-13-22-20(15-21)11-8-14-27(22)18(4)28/h5-7,9-10,12-13,15-17,23,26H,8,11,14H2,1-4H3,(H,25,29)
InChIKeyXQWKAZIPMRLLQF-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.17
Rot. Bonds7

About 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide (PubChem CID 3236250) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide
PubChem CID3236250
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21
InChIInChI=1S/C24H31N3O4S/c1-16(2)23(24(29)25-17(3)19-9-6-5-7-10-19)26-32(30,31)21-12-13-22-20(15-21)11-8-14-27(22)18(4)28/h5-7,9-10,12-13,15-17,23,26H,8,11,14H2,1-4H3,(H,25,29)
InChIKeyXQWKAZIPMRLLQF-UHFFFAOYSA-N
XLogP3.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
TG2-IN-3h
CID 73775533
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9830006
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
N-(2-methylpropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527121
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8518042

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide (CID 3236250) is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21.
What is the InChIKey of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide?
The InChIKey is XQWKAZIPMRLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-16(2)23(24(29)25-17(3)19-9-6-5-7-10-19)26-32(30,31)21-12-13-22-20(15-21)11-8-14-27(22)18(4)28/h5-7,9-10,12-13,15-17,23,26H,8,11,14H2,1-4H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide?
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide has a molecular weight of 457.60 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 3236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).