N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C16H15N3O2S — CID 4218299

IUPACN-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NCc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-11-16(19-14-7-3-2-6-13(14)18-11)22-10-15(20)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyPFCTYMDGGGSLNN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.94
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 4218299) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID4218299
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NCc1ccco1
InChIInChI=1S/C16H15N3O2S/c1-11-16(19-14-7-3-2-6-13(14)18-11)22-10-15(20)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyPFCTYMDGGGSLNN-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082694
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17438789
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 40558768
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 3682802
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2359439
N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide
CID 5130790
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 4218299) is N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PFCTYMDGGGSLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-16(19-14-7-3-2-6-13(14)18-11)22-10-15(20)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 313.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4218299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).