N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

C20H24FN3O3S2 — CID 46630280

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S2/c1-15(20(25)23-13-16-5-7-17(21)8-6-16)28-19-10-9-18(14-22-19)29(26,27)24-11-3-2-4-12-24/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25)
InChIKeyGPBMWMCEWNPCTG-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.19
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 46630280) has the molecular formula C20H24FN3O3S2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID46630280
Molecular FormulaC20H24FN3O3S2
Molecular Weight437.56 g/mol
Exact Mass437.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S2/c1-15(20(25)23-13-16-5-7-17(21)8-6-16)28-19-10-9-18(14-22-19)29(26,27)24-11-3-2-4-12-24/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25)
InChIKeyGPBMWMCEWNPCTG-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 40795762
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
N-(3-fluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625514
N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625515
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 46624378
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 41204626
(2S)-N-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7779790
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (CID 46630280) is N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is CC(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is GPBMWMCEWNPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S2/c1-15(20(25)23-13-16-5-7-17(21)8-6-16)28-19-10-9-18(14-22-19)29(26,27)24-11-3-2-4-12-24/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 437.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 46630280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).