N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide

C15H19NO3S — CID 65160059

IUPACN-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCc1cc(C#CCCO)cs1
InChIInChI=1S/C15H19NO3S/c17-6-2-1-4-12-8-14(20-11-12)10-16-15(18)9-13-5-3-7-19-13/h8,11,13,17H,2-3,5-7,9-10H2,(H,16,18)
InChIKeyVMLSUBQVGZSRRI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.67
Rot. Bonds5

About N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide

N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65160059) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide
PubChem CID65160059
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCc1cc(C#CCCO)cs1
InChIInChI=1S/C15H19NO3S/c17-6-2-1-4-12-8-14(20-11-12)10-16-15(18)9-13-5-3-7-19-13/h8,11,13,17H,2-3,5-7,9-10H2,(H,16,18)
InChIKeyVMLSUBQVGZSRRI-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107578185
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158728
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methoxypropanamide
CID 113374803
4-(4-hydroxybut-1-ynyl)-N-(oxolan-2-ylmethyl)benzamide
CID 60817167
2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 129372483
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 62759781
4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81219215
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 79161253
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103197962
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide (CID 65160059) is N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCc1cc(C#CCCO)cs1.
What is the InChIKey of N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is VMLSUBQVGZSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-6-2-1-4-12-8-14(20-11-12)10-16-15(18)9-13-5-3-7-19-13/h8,11,13,17H,2-3,5-7,9-10H2,(H,16,18).
What are the key properties of N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide?
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65160059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).