2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide

C16H24N2O3S — CID 42448402

IUPAC2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)CC(C)C)ccc21
InChIInChI=1S/C16H24N2O3S/c1-4-16(19)18-9-5-6-13-10-14(7-8-15(13)18)17-22(20,21)11-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyWEAFXKUCJLOGIV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide

2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide (PubChem CID 42448402) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide
PubChem CID42448402
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)CC(C)C)ccc21
InChIInChI=1S/C16H24N2O3S/c1-4-16(19)18-9-5-6-13-10-14(7-8-15(13)18)17-22(20,21)11-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyWEAFXKUCJLOGIV-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide (CID 42448402) is 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide is CCC(=O)N1CCCc2cc(NS(=O)(=O)CC(C)C)ccc21.
What is the InChIKey of 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide?
The InChIKey is WEAFXKUCJLOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-16(19)18-9-5-6-13-10-14(7-8-15(13)18)17-22(20,21)11-12(2)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide?
2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-1-sulfonamide is sourced from PubChem (CID 42448402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).