N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

C13H11ClN2O2S — CID 108796358

IUPACN-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H11ClN2O2S/c14-9-5-6-15-12(8-9)16-13(18)4-3-10(17)11-2-1-7-19-11/h1-2,5-8H,3-4H2,(H,15,16,18)
InChIKeyYNMMZUDTJWFMOZ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.40
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108796358) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108796358
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H11ClN2O2S/c14-9-5-6-15-12(8-9)16-13(18)4-3-10(17)11-2-1-7-19-11/h1-2,5-8H,3-4H2,(H,15,16,18)
InChIKeyYNMMZUDTJWFMOZ-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 42027543
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
CID 123816507
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 23249669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 108796358) is N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is YNMMZUDTJWFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-9-5-6-15-12(8-9)16-13(18)4-3-10(17)11-2-1-7-19-11/h1-2,5-8H,3-4H2,(H,15,16,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 294.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).