2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C15H21ClF2N2OS — CID 119558141

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ccc(F)c(F)c1)NCCC1CCCNC1
InChIInChI=1S/C15H20F2N2OS.ClH/c16-13-4-3-12(8-14(13)17)21-10-15(20)19-7-5-11-2-1-6-18-9-11;/h3-4,8,11,18H,1-2,5-7,9-10H2,(H,19,20);1H
InChIKeyCUZFKMZSRRXGEJ-UHFFFAOYSA-N
MW350.86 g/mol
LogP2.98
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119558141) has the molecular formula C15H21ClF2N2OS and a molecular weight of 350.86 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119558141
Molecular FormulaC15H21ClF2N2OS
Molecular Weight350.86 g/mol
Exact Mass350.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ccc(F)c(F)c1)NCCC1CCCNC1
InChIInChI=1S/C15H20F2N2OS.ClH/c16-13-4-3-12(8-14(13)17)21-10-15(20)19-7-5-11-2-1-6-18-9-11;/h3-4,8,11,18H,1-2,5-7,9-10H2,(H,19,20);1H
InChIKeyCUZFKMZSRRXGEJ-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534534
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556120
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119558141) is 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(CSc1ccc(F)c(F)c1)NCCC1CCCNC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is CUZFKMZSRRXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS.ClH/c16-13-4-3-12(8-14(13)17)21-10-15(20)19-7-5-11-2-1-6-18-9-11;/h3-4,8,11,18H,1-2,5-7,9-10H2,(H,19,20);1H.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119558141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).