2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide

C14H14N2O5S — CID 112781003

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O5S/c1-20-10-4-5-12(13(7-10)16(18)19)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyUJOKXGYCAHRPIZ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.07
Rot. Bonds7

About 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 112781003) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID112781003
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O5S/c1-20-10-4-5-12(13(7-10)16(18)19)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyUJOKXGYCAHRPIZ-UHFFFAOYSA-N
XLogP3.07
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 112781013
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
methyl 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785649
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8677941
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46679288
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 2837465
N,N'-bis(furan-2-ylmethyl)-2-[(4-methoxy-2-nitroanilino)methylidene]propanediamide
CID 21236248
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 112781003) is 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CSCc2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is UJOKXGYCAHRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-10-4-5-12(13(7-10)16(18)19)15-14(17)9-22-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 322.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 112781003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).