N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide

C19H18N2O3S2 — CID 126850873

IUPACN-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C19H18N2O3S2/c22-14(15-8-9-17(26-15)16-7-4-10-25-16)12-21-19(24)18(23)20-11-13-5-2-1-3-6-13/h1-10,14,22H,11-12H2,(H,20,23)(H,21,24)
InChIKeyDQVFKSNPZFOXSG-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.94
Rot. Bonds6

About N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide

N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (PubChem CID 126850873) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
PubChem CID126850873
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C19H18N2O3S2/c22-14(15-8-9-17(26-15)16-7-4-10-25-16)12-21-19(24)18(23)20-11-13-5-2-1-3-6-13/h1-10,14,22H,11-12H2,(H,20,23)(H,21,24)
InChIKeyDQVFKSNPZFOXSG-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775
N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 131702053
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
1-(5-thiophen-2-ylthiophen-2-yl)ethanol
CID 14954981
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide (CID 126850873) is N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is O=C(NCc1ccccc1)C(=O)NCC(O)c1ccc(-c2cccs2)s1.
What is the InChIKey of N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
The InChIKey is DQVFKSNPZFOXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-14(15-8-9-17(26-15)16-7-4-10-25-16)12-21-19(24)18(23)20-11-13-5-2-1-3-6-13/h1-10,14,22H,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide?
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide has a molecular weight of 386.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 126850873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).