N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C22H21N3O4S — CID 121019150

IUPACN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C22H21N3O4S/c26-20-8-1-2-11-25(20)16-6-3-5-15(13-16)24-22(28)21(27)23-14-17-9-10-18(29-17)19-7-4-12-30-19/h3-7,9-10,12-13H,1-2,8,11,14H2,(H,23,27)(H,24,28)
InChIKeyVAZNDDPDJGJLRH-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.78
Rot. Bonds5

About N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 121019150) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID121019150
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C22H21N3O4S/c26-20-8-1-2-11-25(20)16-6-3-5-15(13-16)24-22(28)21(27)23-14-17-9-10-18(29-17)19-7-4-12-30-19/h3-7,9-10,12-13H,1-2,8,11,14H2,(H,23,27)(H,24,28)
InChIKeyVAZNDDPDJGJLRH-UHFFFAOYSA-N
XLogP3.78
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264511
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90583757
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264535
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584418
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90605267
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24627592

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 121019150) is N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is O=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is VAZNDDPDJGJLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-20-8-1-2-11-25(20)16-6-3-5-15(13-16)24-22(28)21(27)23-14-17-9-10-18(29-17)19-7-4-12-30-19/h3-7,9-10,12-13H,1-2,8,11,14H2,(H,23,27)(H,24,28).
What are the key properties of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 423.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 121019150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).