4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide

C15H16N2O2S — CID 27700487

IUPAC4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ccncc2)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-9-13(11(2)20-10)14(18)3-4-15(19)17-12-5-7-16-8-6-12/h5-9H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyFJYYHNRHIIPKSE-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.36
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide (PubChem CID 27700487) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
PubChem CID27700487
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ccncc2)c(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-9-13(11(2)20-10)14(18)3-4-15(19)17-12-5-7-16-8-6-12/h5-9H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyFJYYHNRHIIPKSE-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
CID 18107073
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-nitrophenyl)-4-oxobutanamide
CID 26575505
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide (CID 27700487) is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide is Cc1cc(C(=O)CCC(=O)Nc2ccncc2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide?
The InChIKey is FJYYHNRHIIPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-9-13(11(2)20-10)14(18)3-4-15(19)17-12-5-7-16-8-6-12/h5-9H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide?
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide has a molecular weight of 288.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 27700487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).