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

C17H25N3O4S — CID 112994953

IUPAC2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C17H25N3O4S/c1-12(21)20-9-5-6-13-10-14(7-8-15(13)20)25(23,24)18-11-16(22)19-17(2,3)4/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,19,22)
InChIKeyWRMNZLDKILVYCQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.18
Rot. Bonds4

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

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 112994953) 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-tert-butylacetamide.

Molecular Properties

Compound Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
PubChem CID112994953
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C17H25N3O4S/c1-12(21)20-9-5-6-13-10-14(7-8-15(13)20)25(23,24)18-11-16(22)19-17(2,3)4/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,19,22)
InChIKeyWRMNZLDKILVYCQ-UHFFFAOYSA-N
XLogP1.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
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
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide (CID 112994953) is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccc21.
What is the InChIKey of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is WRMNZLDKILVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12(21)20-9-5-6-13-10-14(7-8-15(13)20)25(23,24)18-11-16(22)19-17(2,3)4/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,19,22).
What are the key properties of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide?
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 367.47 g/mol, XLogP of 1.18, 4 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-tert-butylacetamide is sourced from PubChem (CID 112994953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).