N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide

C10H13NO3S — CID 56850594

IUPACN-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccc(C=O)o1
InChIInChI=1S/C10H13NO3S/c1-8(13)11-4-5-15-7-10-3-2-9(6-12)14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeyBRENVGGHYXLOGC-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide

N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide (PubChem CID 56850594) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide
PubChem CID56850594
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSCc1ccc(C=O)o1
InChIInChI=1S/C10H13NO3S/c1-8(13)11-4-5-15-7-10-3-2-9(6-12)14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeyBRENVGGHYXLOGC-UHFFFAOYSA-N
XLogP1.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2375381
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4827667
N-[2-(Furan-2-ylmethylsulfanyl)-ethyl]-2-phenoxy-acetamide
CID 651015
5-{[(2-Aminoethyl)sulfanyl]methyl}furan-2-Carbaldehyde
CID 137348142
N-cyclopropyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2381153
Methyl 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carboxylate
CID 2814722
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclobutanecarboxamide
CID 2823324
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopropanecarboxamide
CID 2823367
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823406
Methyl 5-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]furan-2-carboxylate
CID 16259347
N-[(S)-2-(2-furyl)-2-methoxyethyl](cyclopentylthio)acetamide
CID 99876331
5-[(Methylsulfanyl)methyl]furan-2-carbaldehyde
CID 39870752

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide (CID 56850594) is N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide is CC(=O)NCCSCc1ccc(C=O)o1.
What is the InChIKey of N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide?
The InChIKey is BRENVGGHYXLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8(13)11-4-5-15-7-10-3-2-9(6-12)14-10/h2-3,6H,4-5,7H2,1H3,(H,11,13).
What are the key properties of N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide?
N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide has a molecular weight of 227.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-formylfuran-2-yl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 56850594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).