3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide

C16H19N3O4S — CID 94639016

IUPAC3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H19N3O4S/c1-9(19-24(21,22)16-10(2)18-23-11(16)3)12-4-6-14-13(8-12)5-7-15(20)17-14/h4,6,8-9,19H,5,7H2,1-3H3,(H,17,20)/t9-/m0/s1
InChIKeyVNCLXCSJQAOBJJ-VIFPVBQESA-N
MW349.41 g/mol
LogP2.22
Rot. Bonds4

About 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 94639016) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID94639016
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H19N3O4S/c1-9(19-24(21,22)16-10(2)18-23-11(16)3)12-4-6-14-13(8-12)5-7-15(20)17-14/h4,6,8-9,19H,5,7H2,1-3H3,(H,17,20)/t9-/m0/s1
InChIKeyVNCLXCSJQAOBJJ-VIFPVBQESA-N
XLogP2.22
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 52524073
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 28537936
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
6-[(1S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97333638
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8800124
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584
5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51118082

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 94639016) is 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is VNCLXCSJQAOBJJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-9(19-24(21,22)16-10(2)18-23-11(16)3)12-4-6-14-13(8-12)5-7-15(20)17-14/h4,6,8-9,19H,5,7H2,1-3H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 94639016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).