N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide

C15H23N3O3S — CID 40848626

IUPACN-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESCOCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-21-8-5-16-14(19)15(20)17-10-13(12-4-9-22-11-12)18-6-2-3-7-18/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyIJKYXZSTWYRYAY-ZDUSSCGKSA-N
MW325.43 g/mol
LogP0.76
Rot. Bonds7

About N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide

N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (PubChem CID 40848626) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
PubChem CID40848626
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESCOCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-21-8-5-16-14(19)15(20)17-10-13(12-4-9-22-11-12)18-6-2-3-7-18/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyIJKYXZSTWYRYAY-ZDUSSCGKSA-N
XLogP0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848564
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 16932558
N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932385
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (CID 40848626) is N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is COCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The InChIKey is IJKYXZSTWYRYAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-21-8-5-16-14(19)15(20)17-10-13(12-4-9-22-11-12)18-6-2-3-7-18/h4,9,11,13H,2-3,5-8,10H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide has a molecular weight of 325.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 40848626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).