4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide

C13H17NO3S — CID 4875517

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCC1CCCO1
InChIInChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)
InChIKeyIQNDSCCNDCOPLV-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.01
Rot. Bonds6

About 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide

4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide (PubChem CID 4875517) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
PubChem CID4875517
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCC1CCCO1
InChIInChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)
InChIKeyIQNDSCCNDCOPLV-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide (CID 4875517) is 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCC1CCCO1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
The InChIKey is IQNDSCCNDCOPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide?
4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide has a molecular weight of 267.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 4875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).