N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide

C19H20N4O3S2 — CID 168792772

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide
SMILES[H]N=S(=O)(CCOC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1
InChIInChI=1S/C19H20N4O3S2/c1-26-8-10-28(21,25)14-5-7-16(22-12-14)19(24)23-17-11-13(4-6-15(17)20)18-3-2-9-27-18/h2-7,9,11-12,21H,8,10,20H2,1H3,(H,23,24)
InChIKeyOXEVRMNWLDDUOV-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.70
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide (PubChem CID 168792772) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide
PubChem CID168792772
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide
SMILES[H]N=S(=O)(CCOC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1
InChIInChI=1S/C19H20N4O3S2/c1-26-8-10-28(21,25)14-5-7-16(22-12-14)19(24)23-17-11-13(4-6-15(17)20)18-3-2-9-27-18/h2-7,9,11-12,21H,8,10,20H2,1H3,(H,23,24)
InChIKeyOXEVRMNWLDDUOV-UHFFFAOYSA-N
XLogP3.70
TPSA118.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide (CID 168792772) is N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide is [H]N=S(=O)(CCOC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide?
The InChIKey is OXEVRMNWLDDUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-26-8-10-28(21,25)14-5-7-16(22-12-14)19(24)23-17-11-13(4-6-15(17)20)18-3-2-9-27-18/h2-7,9,11-12,21H,8,10,20H2,1H3,(H,23,24).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 168792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).