2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C23H21N3O2S — CID 46357692

IUPAC2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(Sc1nc2ccccc2nc1Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C23H21N3O2S/c1-16(22(27)24-15-18-10-7-13-28-18)29-23-21(14-17-8-3-2-4-9-17)25-19-11-5-6-12-20(19)26-23/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyVKWHTEOUMZVGNL-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.61
Rot. Bonds7

About 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 46357692) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID46357692
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(Sc1nc2ccccc2nc1Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C23H21N3O2S/c1-16(22(27)24-15-18-10-7-13-28-18)29-23-21(14-17-8-3-2-4-9-17)25-19-11-5-6-12-20(19)26-23/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyVKWHTEOUMZVGNL-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 46695491
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 47021928
(2S)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 2473670
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
N-benzyl-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51280035
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 30929664
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 43051158

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 46357692) is 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is CC(Sc1nc2ccccc2nc1Cc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is VKWHTEOUMZVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16(22(27)24-15-18-10-7-13-28-18)29-23-21(14-17-8-3-2-4-9-17)25-19-11-5-6-12-20(19)26-23/h2-13,16H,14-15H2,1H3,(H,24,27).
What are the key properties of 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 403.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46357692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).