N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide

C15H16N2O2S — CID 3792423

IUPACN'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHQDVRRSWFGRISJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.24
Rot. Bonds4

About N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 3792423) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID3792423
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHQDVRRSWFGRISJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Proline scaffold, 28
CID 42618125
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N'-[(2-methylphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032240
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide (CID 3792423) is N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide is CC(NC(=O)C(=O)NCc1cccs1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is HQDVRRSWFGRISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 288.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 3792423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).