N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide

C15H22N2OS — CID 82181207

IUPACN-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1ccc(NC(=O)CSC2CCNCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-2-12-3-5-13(6-4-12)17-15(18)11-19-14-7-9-16-10-8-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyNUYKFRGTTKVEFC-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.67
Rot. Bonds5

About N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide

N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 82181207) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID82181207
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCCc1ccc(NC(=O)CSC2CCNCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-2-12-3-5-13(6-4-12)17-15(18)11-19-14-7-9-16-10-8-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyNUYKFRGTTKVEFC-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626884
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626703
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
methyl 2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzoate
CID 114626637
N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626838
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide (CID 82181207) is N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide is CCc1ccc(NC(=O)CSC2CCNCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is NUYKFRGTTKVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-12-3-5-13(6-4-12)17-15(18)11-19-14-7-9-16-10-8-14/h3-6,14,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 82181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).