N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide

C15H22N2O3S — CID 86263792

IUPACN-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C15H22N2O3S/c1-20-8-7-16-13(18)14(19)17-11-15(5-2-3-6-15)12-4-9-21-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQRBCAYCATQOPOZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds6

About N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide

N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide (PubChem CID 86263792) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide
PubChem CID86263792
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C15H22N2O3S/c1-20-8-7-16-13(18)14(19)17-11-15(5-2-3-6-15)12-4-9-21-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQRBCAYCATQOPOZ-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-Methoxyethyl)-3-((1-(thiophen-3-yl)cyclopentyl)methyl)urea
CID 86263803
N-(2-methoxyethyl)-N'-{[1-(thiophen-2-yl)cyclopentyl]methyl}ethanediamide
CID 25882738
N1-(2-morpholinoethyl)-N2-((1-(thiophen-2-yl)cyclopentyl)methyl)oxalamide
CID 25882748
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{[1-(thiophen-2-yl)cyclopentyl]methyl}ethanediamide
CID 25882759
Methyl ((1-(thiophen-3-yl)cyclopentyl)methyl)carbamate
CID 86263744
2-(2,5-dioxopyrrolidin-1-yl)-N-{[1-(thiophen-3-yl)cyclopentyl]methyl}acetamide
CID 86263755
2-(cyclopentylthio)-N-((1-(thiophen-3-yl)cyclopentyl)methyl)acetamide
CID 86264320
N-(2-methoxyethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 45891716
1-(2-Methoxyethyl)-3-(2-methyl-2-(thiophen-3-yl)propyl)urea
CID 132451323
N1-((1-(thiophen-3-yl)cyclopentyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 92066044
N-methyl-N'-{[1-(thiophen-2-yl)cyclopentyl]methyl}ethanediamide
CID 25882789
N1-(2-methoxyethyl)-N2-((1-(thiophen-2-yl)cyclopropyl)methyl)oxalamide
CID 30525796

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide (CID 86263792) is N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide is COCCNC(=O)C(=O)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide?
The InChIKey is QRBCAYCATQOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-8-7-16-13(18)14(19)17-11-15(5-2-3-6-15)12-4-9-21-10-12/h4,9-10H,2-3,5-8,11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide?
N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide has a molecular weight of 310.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(1-thiophen-3-ylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 86263792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).