N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide

C13H13N3O4S — CID 5337688

IUPACN-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C13H13N3O4S/c1-10(17)15-11-4-6-13(7-5-11)21(18,19)16-14-9-12-3-2-8-20-12/h2-9,16H,1H3,(H,15,17)/b14-9+
InChIKeyHOQVVEPRSODADI-NTEUORMPSA-N
MW307.33 g/mol
LogP1.55
Rot. Bonds5

About N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 5337688) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID5337688
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C13H13N3O4S/c1-10(17)15-11-4-6-13(7-5-11)21(18,19)16-14-9-12-3-2-8-20-12/h2-9,16H,1H3,(H,15,17)/b14-9+
InChIKeyHOQVVEPRSODADI-NTEUORMPSA-N
XLogP1.55
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide (CID 5337688) is N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is HOQVVEPRSODADI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-10(17)15-11-4-6-13(7-5-11)21(18,19)16-14-9-12-3-2-8-20-12/h2-9,16H,1H3,(H,15,17)/b14-9+.
What are the key properties of N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 307.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-furan-2-ylmethylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5337688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).