N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide

C21H24F2N2OS — CID 51123737

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H24F2N2OS/c22-17-5-7-19(8-6-17)27-14-11-21(26)24-18-9-12-25(13-10-18)15-16-3-1-2-4-20(16)23/h1-8,18H,9-15H2,(H,24,26)
InChIKeySVHFPPVAKCKODW-UHFFFAOYSA-N
MW390.50 g/mol
LogP4.23
Rot. Bonds7

About N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 51123737) has the molecular formula C21H24F2N2OS and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID51123737
Molecular FormulaC21H24F2N2OS
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H24F2N2OS/c22-17-5-7-19(8-6-17)27-14-11-21(26)24-18-9-12-25(13-10-18)15-16-3-1-2-4-20(16)23/h1-8,18H,9-15H2,(H,24,26)
InChIKeySVHFPPVAKCKODW-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 51123737) is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is SVHFPPVAKCKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2OS/c22-17-5-7-19(8-6-17)27-14-11-21(26)24-18-9-12-25(13-10-18)15-16-3-1-2-4-20(16)23/h1-8,18H,9-15H2,(H,24,26).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 390.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 51123737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).