4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide

C15H16N2O2S — CID 25355039

IUPAC4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-2-3-9-16-12)17-15(19)8-7-13(18)14-6-4-10-20-14/h2-6,9-11H,7-8H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyVOVJORVCDIOJRM-NSHDSACASA-N
MW288.37 g/mol
LogP2.98
Rot. Bonds6

About 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide (PubChem CID 25355039) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
PubChem CID25355039
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-2-3-9-16-12)17-15(19)8-7-13(18)14-6-4-10-20-14/h2-6,9-11H,7-8H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyVOVJORVCDIOJRM-NSHDSACASA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 52513389
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
N-[1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 42956084
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 39920108

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide (CID 25355039) is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide is C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccn1.
What is the InChIKey of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is VOVJORVCDIOJRM-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(12-5-2-3-9-16-12)17-15(19)8-7-13(18)14-6-4-10-20-14/h2-6,9-11H,7-8H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 288.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 25355039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).