N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide

C11H15NO3S — CID 3045051

IUPACN-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCCO
InChIInChI=1S/C11H15NO3S/c13-7-2-6-12-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8,13H,2,4-7H2,(H,12,15)
InChIKeyDXOBDKRICXTJTA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.21
Rot. Bonds7

About N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 3045051) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID3045051
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCCO
InChIInChI=1S/C11H15NO3S/c13-7-2-6-12-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8,13H,2,4-7H2,(H,12,15)
InChIKeyDXOBDKRICXTJTA-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 3045051) is N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is DXOBDKRICXTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-7-2-6-12-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8,13H,2,4-7H2,(H,12,15).
What are the key properties of N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 241.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 3045051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).