N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide

C20H25N3O2S — CID 40848792

IUPACN-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C20H25N3O2S/c24-19(21-10-8-16-6-2-1-3-7-16)20(25)22-14-18(17-9-13-26-15-17)23-11-4-5-12-23/h1-3,6-7,9,13,15,18H,4-5,8,10-12,14H2,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyYHCIBCNRSIGGBF-GOSISDBHSA-N
MW371.51 g/mol
LogP2.36
Rot. Bonds7

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

N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (PubChem CID 40848792) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
PubChem CID40848792
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C20H25N3O2S/c24-19(21-10-8-16-6-2-1-3-7-16)20(25)22-14-18(17-9-13-26-15-17)23-11-4-5-12-23/h1-3,6-7,9,13,15,18H,4-5,8,10-12,14H2,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyYHCIBCNRSIGGBF-GOSISDBHSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.36
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'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 16932558
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 16932556

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (CID 40848792) is N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)N1CCCC1.
What is the InChIKey of N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The InChIKey is YHCIBCNRSIGGBF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(21-10-8-16-6-2-1-3-7-16)20(25)22-14-18(17-9-13-26-15-17)23-11-4-5-12-23/h1-3,6-7,9,13,15,18H,4-5,8,10-12,14H2,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide has a molecular weight of 371.51 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 40848792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).