N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide

C14H20N2O2S — CID 30526037

IUPACN'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-13(2,3)16-12(18)11(17)15-9-14(6-7-14)10-5-4-8-19-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyHOCWXMINWSBWJO-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.81
Rot. Bonds3

About N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide

N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide (PubChem CID 30526037) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide
PubChem CID30526037
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-13(2,3)16-12(18)11(17)15-9-14(6-7-14)10-5-4-8-19-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyHOCWXMINWSBWJO-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide (CID 30526037) is N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide is CC(C)(C)NC(=O)C(=O)NCC1(c2cccs2)CC1.
What is the InChIKey of N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide?
The InChIKey is HOCWXMINWSBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-13(2,3)16-12(18)11(17)15-9-14(6-7-14)10-5-4-8-19-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide?
N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide has a molecular weight of 280.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]oxamide is sourced from PubChem (CID 30526037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).