N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide

C11H16N2O3S — CID 90496631

IUPACN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-2-4-12-10(15)11(16)13-6-9(14)8-3-5-17-7-8/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyPHGSGXSLTUIRLF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.42
Rot. Bonds5

About N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide

N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide (PubChem CID 90496631) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
PubChem CID90496631
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-2-4-12-10(15)11(16)13-6-9(14)8-3-5-17-7-8/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyPHGSGXSLTUIRLF-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide (CID 90496631) is N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide is CCCNC(=O)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide?
The InChIKey is PHGSGXSLTUIRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-4-12-10(15)11(16)13-6-9(14)8-3-5-17-7-8/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide?
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide has a molecular weight of 256.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide is sourced from PubChem (CID 90496631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).