N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C14H14N2O3S — CID 122264467

IUPACN'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)NC1CC1
InChIInChI=1S/C14H14N2O3S/c17-13(14(18)16-9-3-4-9)15-8-10-5-6-11(19-10)12-2-1-7-20-12/h1-2,5-7,9H,3-4,8H2,(H,15,17)(H,16,18)
InChIKeyMLQCXJCJYWDANG-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.90
Rot. Bonds4

About N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264467) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264467
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)C(=O)NC1CC1
InChIInChI=1S/C14H14N2O3S/c17-13(14(18)16-9-3-4-9)15-8-10-5-6-11(19-10)12-2-1-7-20-12/h1-2,5-7,9H,3-4,8H2,(H,15,17)(H,16,18)
InChIKeyMLQCXJCJYWDANG-UHFFFAOYSA-N
XLogP1.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.90
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-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
N'-(5-chloro-2-methylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264516
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
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264467) is N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is O=C(NCc1ccc(-c2cccs2)o1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is MLQCXJCJYWDANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(14(18)16-9-3-4-9)15-8-10-5-6-11(19-10)12-2-1-7-20-12/h1-2,5-7,9H,3-4,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 290.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).