N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide

C15H19NO3S — CID 79763423

IUPACN-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(C#CCCO)s1
InChIInChI=1S/C15H19NO3S/c1-11-14(7-9-19-11)15(18)16-10-13-6-5-12(20-13)4-2-3-8-17/h5-6,11,14,17H,3,7-10H2,1H3,(H,16,18)
InChIKeyKUTINNKHHKZLCO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.52
Rot. Bonds4

About N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide

N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide (PubChem CID 79763423) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide
PubChem CID79763423
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(C#CCCO)s1
InChIInChI=1S/C15H19NO3S/c1-11-14(7-9-19-11)15(18)16-10-13-6-5-12(20-13)4-2-3-8-17/h5-6,11,14,17H,3,7-10H2,1H3,(H,16,18)
InChIKeyKUTINNKHHKZLCO-UHFFFAOYSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
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 N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide (CID 79763423) is N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCc1ccc(C#CCCO)s1.
What is the InChIKey of N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is KUTINNKHHKZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-14(7-9-19-11)15(18)16-10-13-6-5-12(20-13)4-2-3-8-17/h5-6,11,14,17H,3,7-10H2,1H3,(H,16,18).
What are the key properties of N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide?
N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 293.39 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 N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79763423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).