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

C20H24N2OS — CID 67239683

IUPAC4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCCSc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C20H24N2OS/c1-2-24-19-11-7-16(8-12-19)20(23)22-18-9-5-15(6-10-18)17-4-3-13-21-14-17/h5-12,17,21H,2-4,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyXAKSSLGBWVETCP-QGZVFWFLSA-N
MW340.49 g/mol
LogP4.52
Rot. Bonds5

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

4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 67239683) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID67239683
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCCSc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C20H24N2OS/c1-2-24-19-11-7-16(8-12-19)20(23)22-18-9-5-15(6-10-18)17-4-3-13-21-14-17/h5-12,17,21H,2-4,13-14H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyXAKSSLGBWVETCP-QGZVFWFLSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 67239683) is 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is CCSc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is XAKSSLGBWVETCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-2-24-19-11-7-16(8-12-19)20(23)22-18-9-5-15(6-10-18)17-4-3-13-21-14-17/h5-12,17,21H,2-4,13-14H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 340.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 67239683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).