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

C17H25N3O2S — CID 40848564

IUPACN'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(17(22)19-14-5-1-2-6-14)18-11-15(13-7-10-23-12-13)20-8-3-4-9-20/h7,10,12,14-15H,1-6,8-9,11H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyLDULDXREFZURJQ-HNNXBMFYSA-N
MW335.47 g/mol
LogP2.06
Rot. Bonds5

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

N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (PubChem CID 40848564) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
PubChem CID40848564
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(17(22)19-14-5-1-2-6-14)18-11-15(13-7-10-23-12-13)20-8-3-4-9-20/h7,10,12,14-15H,1-6,8-9,11H2,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyLDULDXREFZURJQ-HNNXBMFYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932254
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444
N'-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]oxamide
CID 30606007
N'-cyclopropyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932494
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (CID 40848564) is N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The InChIKey is LDULDXREFZURJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(17(22)19-14-5-1-2-6-14)18-11-15(13-7-10-23-12-13)20-8-3-4-9-20/h7,10,12,14-15H,1-6,8-9,11H2,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide has a molecular weight of 335.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 40848564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).