2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide

C16H21ClN2O2S — CID 119461471

IUPAC2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CSCC(=O)c1ccc(Cl)cc1)NCC1CCCNC1
InChIInChI=1S/C16H21ClN2O2S/c17-14-5-3-13(4-6-14)15(20)10-22-11-16(21)19-9-12-2-1-7-18-8-12/h3-6,12,18H,1-2,7-11H2,(H,19,21)
InChIKeyJHRJMIRASQGCRP-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.37
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119461471) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119461471
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CSCC(=O)c1ccc(Cl)cc1)NCC1CCCNC1
InChIInChI=1S/C16H21ClN2O2S/c17-14-5-3-13(4-6-14)15(20)10-22-11-16(21)19-9-12-2-1-7-18-8-12/h3-6,12,18H,1-2,7-11H2,(H,19,21)
InChIKeyJHRJMIRASQGCRP-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
CID 119464126
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 119462366
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide (CID 119461471) is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide is O=C(CSCC(=O)c1ccc(Cl)cc1)NCC1CCCNC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is JHRJMIRASQGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-14-5-3-13(4-6-14)15(20)10-22-11-16(21)19-9-12-2-1-7-18-8-12/h3-6,12,18H,1-2,7-11H2,(H,19,21).
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 340.88 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119461471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).