3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

C15H19NO3S — CID 63797263

IUPAC3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1C#CCCO)C1CCCO1
InChIInChI=1S/C15H19NO3S/c1-11(13-6-4-9-19-13)16-15(18)14-12(7-10-20-14)5-2-3-8-17/h7,10-11,13,17H,3-4,6,8-9H2,1H3,(H,16,18)
InChIKeyOMCNJPZYMSNXGY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.78
Rot. Bonds4

About 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 63797263) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID63797263
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1C#CCCO)C1CCCO1
InChIInChI=1S/C15H19NO3S/c1-11(13-6-4-9-19-13)16-15(18)14-12(7-10-20-14)5-2-3-8-17/h7,10-11,13,17H,3-4,6,8-9H2,1H3,(H,16,18)
InChIKeyOMCNJPZYMSNXGY-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-(1-cyclopropylbutan-2-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63995980
3-(4-hydroxybut-1-ynyl)-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82736064
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106346941
3-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63797586
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 81459602
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 63796588
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 95160272
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-(2,2-dimethylcyclohexyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 79870685
3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide
CID 63797666
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 81041195
3-(4-hydroxybut-1-ynyl)-N-(4-methylpentyl)thiophene-2-carboxamide
CID 63797508

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (CID 63797263) is 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1sccc1C#CCCO)C1CCCO1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is OMCNJPZYMSNXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(13-6-4-9-19-13)16-15(18)14-12(7-10-20-14)5-2-3-8-17/h7,10-11,13,17H,3-4,6,8-9H2,1H3,(H,16,18).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 63797263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).