2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

C20H22Cl2N2OS — CID 100508961

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22Cl2N2OS/c21-18-5-4-6-19(22)17(18)13-26-14-20(25)23-15-7-9-16(10-8-15)24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25)
InChIKeyRVBDCLAJSAMLFH-UHFFFAOYSA-N
MW409.38 g/mol
LogP5.86
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 100508961) has the molecular formula C20H22Cl2N2OS and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID100508961
Molecular FormulaC20H22Cl2N2OS
Molecular Weight409.38 g/mol
Exact Mass408.08
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22Cl2N2OS/c21-18-5-4-6-19(22)17(18)13-26-14-20(25)23-15-7-9-16(10-8-15)24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25)
InChIKeyRVBDCLAJSAMLFH-UHFFFAOYSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
4-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7309260
2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922368
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 2230214
2-[(4-nitrophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508821
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 99824637
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
CID 951606

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 100508961) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is RVBDCLAJSAMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2OS/c21-18-5-4-6-19(22)17(18)13-26-14-20(25)23-15-7-9-16(10-8-15)24-11-2-1-3-12-24/h4-10H,1-3,11-14H2,(H,23,25).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 409.38 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100508961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).