2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide

C18H22N2O2S — CID 131913983

IUPAC2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCN(Cc1cccnc1)C(=O)Cc1csc(C(C)=O)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-8-20(12-15-6-5-7-19-11-15)18(22)10-16-9-17(14(2)21)23-13-16/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3
InChIKeyRLYLIBBFPNTETF-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.72
Rot. Bonds8

About 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide

2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 131913983) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID131913983
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCN(Cc1cccnc1)C(=O)Cc1csc(C(C)=O)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-8-20(12-15-6-5-7-19-11-15)18(22)10-16-9-17(14(2)21)23-13-16/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3
InChIKeyRLYLIBBFPNTETF-UHFFFAOYSA-N
XLogP3.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 131929356
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 119064187
1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 72856995

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide (CID 131913983) is 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide is CCCCN(Cc1cccnc1)C(=O)Cc1csc(C(C)=O)c1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RLYLIBBFPNTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-4-8-20(12-15-6-5-7-19-11-15)18(22)10-16-9-17(14(2)21)23-13-16/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide?
2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-butyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 131913983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).