4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide

C15H16N2O2S — CID 40953428

IUPAC4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyVFHVMIRVNCDBFW-NSHDSACASA-N
MW288.37 g/mol
LogP2.98
Rot. Bonds6

About 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide (PubChem CID 40953428) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
PubChem CID40953428
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyVFHVMIRVNCDBFW-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

4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
CID 51193161
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
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
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide (CID 40953428) is 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide is C[C@H](NC(=O)CCC(=O)c1cccs1)c1cccnc1.
What is the InChIKey of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is VFHVMIRVNCDBFW-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[(1S)-1-pyridin-3-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-3-ylethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 40953428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).