2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide

C18H23N3O2S — CID 23858541

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)C(CC)Sc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-5-16(24-18-19-12(3)11-13(4)20-18)17(22)21-14-7-9-15(10-8-14)23-6-2/h7-11,16H,5-6H2,1-4H3,(H,21,22)
InChIKeyUZQNIIIUXRDIJS-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.00
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide (PubChem CID 23858541) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide
PubChem CID23858541
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)C(CC)Sc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-5-16(24-18-19-12(3)11-13(4)20-18)17(22)21-14-7-9-15(10-8-14)23-6-2/h7-11,16H,5-6H2,1-4H3,(H,21,22)
InChIKeyUZQNIIIUXRDIJS-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231
N-(4-ethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434101
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25043701
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708350
(2S)-N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 7345794
N-[3-[1-(4-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907461
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 17017883
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylbutanamide
CID 41176312
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
N-(3-chloro-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21233629
N-(4-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970277

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide (CID 23858541) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)C(CC)Sc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide?
The InChIKey is UZQNIIIUXRDIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-16(24-18-19-12(3)11-13(4)20-18)17(22)21-14-7-9-15(10-8-14)23-6-2/h7-11,16H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide has a molecular weight of 345.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 23858541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).