2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride

C18H21ClN2OS — CID 119389903

IUPAC2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H20N2OS.ClH/c21-18(20-14-10-12-19-13-11-14)16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,14,19H,10-13H2,(H,20,21);1H
InChIKeyFWSQRWAKMBCFOU-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.74
Rot. Bonds4

About 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride

2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119389903) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119389903
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H20N2OS.ClH/c21-18(20-14-10-12-19-13-11-14)16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,14,19H,10-13H2,(H,20,21);1H
InChIKeyFWSQRWAKMBCFOU-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride
CID 119478534
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119452204
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119389903) is 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccccc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is FWSQRWAKMBCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS.ClH/c21-18(20-14-10-12-19-13-11-14)16-8-4-5-9-17(16)22-15-6-2-1-3-7-15;/h1-9,14,19H,10-13H2,(H,20,21);1H.
What are the key properties of 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride?
2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119389903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).