5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide

C14H20N2O2S — CID 104764946

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide
SMILESCOC(C)(C)CNC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C14H20N2O2S/c1-10-8-12(19-11(10)6-5-7-15)13(17)16-9-14(2,3)18-4/h8H,7,9,15H2,1-4H3,(H,16,17)
InChIKeyLHFIFMWWXCWFQB-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.52
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide (PubChem CID 104764946) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide
PubChem CID104764946
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide
SMILESCOC(C)(C)CNC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C14H20N2O2S/c1-10-8-12(19-11(10)6-5-7-15)13(17)16-9-14(2,3)18-4/h8H,7,9,15H2,1-4H3,(H,16,17)
InChIKeyLHFIFMWWXCWFQB-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide (CID 104764946) is 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide is COC(C)(C)CNC(=O)c1cc(C)c(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is LHFIFMWWXCWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-12(19-11(10)6-5-7-15)13(17)16-9-14(2,3)18-4/h8H,7,9,15H2,1-4H3,(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 104764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).