2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C22H28N2O2S — CID 9069058

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(SCC(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2S/c1-26-20-9-11-21(12-10-20)27-17-22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,23,25)
InChIKeyWOKSWTJRVXTUDQ-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.09
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 9069058) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID9069058
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(SCC(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2S/c1-26-20-9-11-21(12-10-20)27-17-22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,23,25)
InChIKeyWOKSWTJRVXTUDQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
(E)-3-(4-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740120
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55745595
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119869683
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32603483
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8969620
2-(4-methoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166185

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 9069058) is 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is COc1ccc(SCC(=O)NCc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is WOKSWTJRVXTUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-26-20-9-11-21(12-10-20)27-17-22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 4.09, 8 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-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 9069058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).