3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

C19H22N2OS — CID 67239368

IUPAC3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCSc1cccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)c1
InChIInChI=1S/C19H22N2OS/c1-23-18-6-2-4-15(12-18)19(22)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyJQSSFQXHUSWAAS-MRXNPFEDSA-N
MW326.47 g/mol
LogP4.13
Rot. Bonds4

About 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 67239368) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID67239368
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCSc1cccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)c1
InChIInChI=1S/C19H22N2OS/c1-23-18-6-2-4-15(12-18)19(22)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyJQSSFQXHUSWAAS-MRXNPFEDSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 67239368) is 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is CSc1cccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)c1.
What is the InChIKey of 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is JQSSFQXHUSWAAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-23-18-6-2-4-15(12-18)19(22)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 326.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 67239368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).