3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide

C17H19N3O5S — CID 110618333

IUPAC3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C17H19N3O5S/c1-11-17(12(2)25-19-11)26(23,24)18-9-7-16(22)20-10-8-15(21)13-5-3-4-6-14(13)20/h3-6,18H,7-10H2,1-2H3
InChIKeyHKPVMJKWDDBAHH-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.58
Rot. Bonds5

About 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110618333) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
PubChem CID110618333
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C17H19N3O5S/c1-11-17(12(2)25-19-11)26(23,24)18-9-7-16(22)20-10-8-15(21)13-5-3-4-6-14(13)20/h3-6,18H,7-10H2,1-2H3
InChIKeyHKPVMJKWDDBAHH-UHFFFAOYSA-N
XLogP1.58
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 9207355
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
N-[3-[(1R,14S)-11-acetyl-17-benzyl-3,11,17-triazatricyclo[12.2.1.05,10]heptadeca-5,7,9-trien-3-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110075260
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9369647
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide (CID 110618333) is 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is HKPVMJKWDDBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-17(12(2)25-19-11)26(23,24)18-9-7-16(22)20-10-8-15(21)13-5-3-4-6-14(13)20/h3-6,18H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 377.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-oxo-3-(4-oxo-2,3-dihydroquinolin-1-yl)propyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110618333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).