N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide

C17H15N3OS — CID 42947736

IUPACN-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
SMILESCC(Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12(17(21)19-13-7-3-2-4-8-13)22-16-11-18-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,19,21)
InChIKeyVGGNRZCKXXYLPH-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.75
Rot. Bonds4

About N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide

N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide (PubChem CID 42947736) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
PubChem CID42947736
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
SMILESCC(Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12(17(21)19-13-7-3-2-4-8-13)22-16-11-18-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,19,21)
InChIKeyVGGNRZCKXXYLPH-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide
CID 118418588
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2S)-2-phenyl-2-quinoxalin-2-ylsulfanylacetic acid
CID 736253
N-phenyl-2-pyridin-1-ium-2-ylsulfanylpropanamide
CID 4745985

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide?
The IUPAC name of N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide (CID 42947736) is N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide?
The canonical SMILES for N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide is CC(Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide?
The InChIKey is VGGNRZCKXXYLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12(17(21)19-13-7-3-2-4-8-13)22-16-11-18-14-9-5-6-10-15(14)20-16/h2-12H,1H3,(H,19,21).
What are the key properties of N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide?
N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42947736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).