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

C20H23ClF2N2OS — CID 119463362

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2OS.ClH/c21-16-8-9-18(17(22)11-16)26-19(15-6-2-1-3-7-15)20(25)24-13-14-5-4-10-23-12-14;/h1-3,6-9,11,14,19,23H,4-5,10,12-13H2,(H,24,25);1H
InChIKeyPRWLGJLMDYCDEX-UHFFFAOYSA-N
MW412.93 g/mol
LogP4.34
Rot. Bonds6

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

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119463362) has the molecular formula C20H23ClF2N2OS and a molecular weight of 412.93 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119463362
Molecular FormulaC20H23ClF2N2OS
Molecular Weight412.93 g/mol
Exact Mass412.12
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2OS.ClH/c21-16-8-9-18(17(22)11-16)26-19(15-6-2-1-3-7-15)20(25)24-13-14-5-4-10-23-12-14;/h1-3,6-9,11,14,19,23H,4-5,10,12-13H2,(H,24,25);1H
InChIKeyPRWLGJLMDYCDEX-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetamide
CID 119458435
2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 120945699
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 119462366
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
CID 119402882

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119463362) is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is PRWLGJLMDYCDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2OS.ClH/c21-16-8-9-18(17(22)11-16)26-19(15-6-2-1-3-7-15)20(25)24-13-14-5-4-10-23-12-14;/h1-3,6-9,11,14,19,23H,4-5,10,12-13H2,(H,24,25);1H.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 412.93 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119463362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).