N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide

C14H18N4O3S — CID 122265353

IUPACN-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C14H18N4O3S/c1-21-8-6-15-13(19)14(20)16-10-11(12-4-2-9-22-12)18-7-3-5-17-18/h2-5,7,9,11H,6,8,10H2,1H3,(H,15,19)(H,16,20)
InChIKeyJAMVUILNRIGDKL-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.41
Rot. Bonds7

About N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide

N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide (PubChem CID 122265353) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
PubChem CID122265353
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C14H18N4O3S/c1-21-8-6-15-13(19)14(20)16-10-11(12-4-2-9-22-12)18-7-3-5-17-18/h2-5,7,9,11H,6,8,10H2,1H3,(H,15,19)(H,16,20)
InChIKeyJAMVUILNRIGDKL-UHFFFAOYSA-N
XLogP0.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-N'-pyridin-3-yloxamide
CID 122265357
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 119102039
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide (CID 122265353) is N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide is COCCNC(=O)C(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide?
The InChIKey is JAMVUILNRIGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-21-8-6-15-13(19)14(20)16-10-11(12-4-2-9-22-12)18-7-3-5-17-18/h2-5,7,9,11H,6,8,10H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide?
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide has a molecular weight of 322.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 122265353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).