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

C20H23N3O4S — CID 55542089

IUPACN-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H23N3O4S/c1-15(24)23-13-5-8-17-14-18(9-10-19(17)23)28(26,27)22-12-11-21-20(25)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,22H,5,8,11-13H2,1H3,(H,21,25)
InChIKeyGCZFBATWWADVGV-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.69
Rot. Bonds6

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

N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide (PubChem CID 55542089) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
PubChem CID55542089
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H23N3O4S/c1-15(24)23-13-5-8-17-14-18(9-10-19(17)23)28(26,27)22-12-11-21-20(25)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,22H,5,8,11-13H2,1H3,(H,21,25)
InChIKeyGCZFBATWWADVGV-UHFFFAOYSA-N
XLogP1.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.69
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

1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide (CID 55542089) is N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCCNC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide?
The InChIKey is GCZFBATWWADVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15(24)23-13-5-8-17-14-18(9-10-19(17)23)28(26,27)22-12-11-21-20(25)16-6-3-2-4-7-16/h2-4,6-7,9-10,14,22H,5,8,11-13H2,1H3,(H,21,25).
What are the key properties of N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide?
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 55542089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).