2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide

C22H26Cl2FN3O3S — CID 143116395

IUPAC2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(c2cccc(OC)n2)CC1
InChIInChI=1S/C22H26Cl2FN3O3S/c1-3-11-32(30)28-9-7-22(8-10-28,19-5-4-6-20(27-19)31-2)14-26-21(29)15-12-18(25)17(24)13-16(15)23/h4-6,12-13H,3,7-11,14H2,1-2H3,(H,26,29)
InChIKeySFTLTUXKAGPYKE-UHFFFAOYSA-N
MW502.44 g/mol
LogP4.37
Rot. Bonds8

About 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide

2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide (PubChem CID 143116395) has the molecular formula C22H26Cl2FN3O3S and a molecular weight of 502.44 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide
PubChem CID143116395
Molecular FormulaC22H26Cl2FN3O3S
Molecular Weight502.44 g/mol
Exact Mass501.11
IUPAC Name2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(c2cccc(OC)n2)CC1
InChIInChI=1S/C22H26Cl2FN3O3S/c1-3-11-32(30)28-9-7-22(8-10-28,19-5-4-6-20(27-19)31-2)14-26-21(29)15-12-18(25)17(24)13-16(15)23/h4-6,12-13H,3,7-11,14H2,1-2H3,(H,26,29)
InChIKeySFTLTUXKAGPYKE-UHFFFAOYSA-N
XLogP4.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
CID 44565252
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758
2,4-dichloro-N-[[1-(3-fluoroazetidin-1-yl)sulfonyl-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
CID 59003515
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide (CID 143116395) is 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide is CCCS(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(c2cccc(OC)n2)CC1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide?
The InChIKey is SFTLTUXKAGPYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2FN3O3S/c1-3-11-32(30)28-9-7-22(8-10-28,19-5-4-6-20(27-19)31-2)14-26-21(29)15-12-18(25)17(24)13-16(15)23/h4-6,12-13H,3,7-11,14H2,1-2H3,(H,26,29).
What are the key properties of 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide has a molecular weight of 502.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfinylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 143116395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).