N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H19N3O3S — CID 110663583

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC(O)c1cccs1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H19N3O3S/c1-21(11-15(22)16-7-4-10-25-16)17(23)9-8-14-18(24)20-13-6-3-2-5-12(13)19-14/h2-7,10,15,22H,8-9,11H2,1H3,(H,20,24)
InChIKeyFIWJFSDBJVTGGI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.11
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110663583) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110663583
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC(O)c1cccs1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H19N3O3S/c1-21(11-15(22)16-7-4-10-25-16)17(23)9-8-14-18(24)20-13-6-3-2-5-12(13)19-14/h2-7,10,15,22H,8-9,11H2,1H3,(H,20,24)
InChIKeyFIWJFSDBJVTGGI-UHFFFAOYSA-N
XLogP2.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110752226
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CID 110663588
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 82177043
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100
N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72932473
N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110757297
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 110743916
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110663583) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CN(CC(O)c1cccs1)C(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is FIWJFSDBJVTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(11-15(22)16-7-4-10-25-16)17(23)9-8-14-18(24)20-13-6-3-2-5-12(13)19-14/h2-7,10,15,22H,8-9,11H2,1H3,(H,20,24).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 357.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110663583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).