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

C17H25N3O4S — CID 112990706

IUPAC2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C17H25N3O4S/c1-3-4-9-18-17(22)12-19-25(23,24)15-7-8-16-14(11-15)6-5-10-20(16)13(2)21/h7-8,11,19H,3-6,9-10,12H2,1-2H3,(H,18,22)
InChIKeyLYHNBOSEQKIKTB-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.18
Rot. Bonds7

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

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide (PubChem CID 112990706) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide.

Molecular Properties

Compound Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
PubChem CID112990706
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C17H25N3O4S/c1-3-4-9-18-17(22)12-19-25(23,24)15-7-8-16-14(11-15)6-5-10-20(16)13(2)21/h7-8,11,19H,3-6,9-10,12H2,1-2H3,(H,18,22)
InChIKeyLYHNBOSEQKIKTB-UHFFFAOYSA-N
XLogP1.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide?
The IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide (CID 112990706) is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide.
What is the SMILES notation for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide?
The canonical SMILES for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide is CCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide?
The InChIKey is LYHNBOSEQKIKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-4-9-18-17(22)12-19-25(23,24)15-7-8-16-14(11-15)6-5-10-20(16)13(2)21/h7-8,11,19H,3-6,9-10,12H2,1-2H3,(H,18,22).
What are the key properties of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide?
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide has a molecular weight of 367.47 g/mol, XLogP of 1.18, 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]-N-butylacetamide is sourced from PubChem (CID 112990706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).