2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide

C17H20N4O4S — CID 5341504

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
SMILESCOc1ccc(N(C(C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-13(17(22)20-19-12-14-5-4-10-18-11-14)21(26(3,23)24)15-6-8-16(25-2)9-7-15/h4-13H,1-3H3,(H,20,22)/b19-12+
InChIKeyXWIYASPHJDBHFT-XDHOZWIPSA-N
MW376.44 g/mol
LogP1.39
Rot. Bonds7

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide (PubChem CID 5341504) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
PubChem CID5341504
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
SMILESCOc1ccc(N(C(C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-13(17(22)20-19-12-14-5-4-10-18-11-14)21(26(3,23)24)15-6-8-16(25-2)9-7-15/h4-13H,1-3H3,(H,20,22)/b19-12+
InChIKeyXWIYASPHJDBHFT-XDHOZWIPSA-N
XLogP1.39
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide (CID 5341504) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide is COc1ccc(N(C(C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The InChIKey is XWIYASPHJDBHFT-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-13(17(22)20-19-12-14-5-4-10-18-11-14)21(26(3,23)24)15-6-8-16(25-2)9-7-15/h4-13H,1-3H3,(H,20,22)/b19-12+.
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide has a molecular weight of 376.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 5341504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).