2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide

C19H22N2OS — CID 119464048

IUPAC2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(21-14-15-7-6-12-20-13-15)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2,(H,21,22)
InChIKeyMGZWVLBYTDOXGL-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.57
Rot. Bonds5

About 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide

2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119464048) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119464048
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(21-14-15-7-6-12-20-13-15)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2,(H,21,22)
InChIKeyMGZWVLBYTDOXGL-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461768
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide (CID 119464048) is 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide is O=C(NCC1CCCNC1)c1ccccc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is MGZWVLBYTDOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(21-14-15-7-6-12-20-13-15)17-10-4-5-11-18(17)23-16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2,(H,21,22).
What are the key properties of 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide?
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 326.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119464048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).