N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide

C15H17N3O4S — CID 16958182

IUPACN-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-8-15(19)18-16-11-13-3-2-10-22-13/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)/b16-11+
InChIKeySOXBYYBKOWYNDY-LFIBNONCSA-N
MW335.39 g/mol
LogP1.41
Rot. Bonds7

About N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 16958182) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID16958182
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2ccco2)cc1
InChIInChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-8-15(19)18-16-11-13-3-2-10-22-13/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)/b16-11+
InChIKeySOXBYYBKOWYNDY-LFIBNONCSA-N
XLogP1.41
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.41
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-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 16958182) is N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is SOXBYYBKOWYNDY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-8-15(19)18-16-11-13-3-2-10-22-13/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)/b16-11+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 335.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 16958182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).