2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

C20H24N2O2S — CID 7579194

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-24-18-9-11-19(12-10-18)25-15-20(23)21-16-5-7-17(8-6-16)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyKEUWCMGMHFAHFT-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.42
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 7579194) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID7579194
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-24-18-9-11-19(12-10-18)25-15-20(23)21-16-5-7-17(8-6-16)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyKEUWCMGMHFAHFT-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4849196
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
N-(4-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47801133
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (CID 7579194) is 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is COc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is KEUWCMGMHFAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-24-18-9-11-19(12-10-18)25-15-20(23)21-16-5-7-17(8-6-16)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 7579194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).