2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C21H26N2O2S — CID 55988345

IUPAC2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCOC1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-25-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)26-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,22,24)
InChIKeyDSALEYHNPPDNDH-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.28
Rot. Bonds7

About 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 55988345) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID55988345
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCOC1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-25-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)26-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,22,24)
InChIKeyDSALEYHNPPDNDH-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide
CID 97313379
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2402500
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2685640
1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide
CID 17417342
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 3955364
N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
CID 55988474

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 55988345) is 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is CCOC1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is DSALEYHNPPDNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-2-25-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)26-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 55988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).