N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide

C17H15N3O3S2 — CID 71804680

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N3O3S2/c21-15(13-4-2-8-24-13)14-6-5-12(25-14)10-19-16(22)17(23)20-11-3-1-7-18-9-11/h1-9,15,21H,10H2,(H,19,22)(H,20,23)
InChIKeyNDITWXNKQKUAQT-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.54
Rot. Bonds5

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide (PubChem CID 71804680) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide
PubChem CID71804680
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N3O3S2/c21-15(13-4-2-8-24-13)14-6-5-12(25-14)10-19-16(22)17(23)20-11-3-1-7-18-9-11/h1-9,15,21H,10H2,(H,19,22)(H,20,23)
InChIKeyNDITWXNKQKUAQT-UHFFFAOYSA-N
XLogP2.54
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide (CID 71804680) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide is O=C(NCc1ccc(C(O)c2cccs2)s1)C(=O)Nc1cccnc1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide?
The InChIKey is NDITWXNKQKUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-15(13-4-2-8-24-13)14-6-5-12(25-14)10-19-16(22)17(23)20-11-3-1-7-18-9-11/h1-9,15,21H,10H2,(H,19,22)(H,20,23).
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide has a molecular weight of 373.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 71804680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).