2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide

C19H22N2OS — CID 26289649

IUPAC2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-23-18-8-4-3-7-17(18)19(22)20-15-9-11-16(12-10-15)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)
InChIKeyRIGQOFMLFZWRLQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.65
Rot. Bonds4

About 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide

2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 26289649) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID26289649
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-23-18-8-4-3-7-17(18)19(22)20-15-9-11-16(12-10-15)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)
InChIKeyRIGQOFMLFZWRLQ-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
N-(4-morpholin-4-ylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 5206302
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide (CID 26289649) is 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide is CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is RIGQOFMLFZWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-23-18-8-4-3-7-17(18)19(22)20-15-9-11-16(12-10-15)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide?
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 326.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 26289649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).