2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane

C25H36ClN3O3S — CID 143116417

IUPAC2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
SMILESCC.CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C)cc2Cl)(c2ncccc2C)CC1
InChIInChI=1S/C23H30ClN3O3S.C2H6/c1-4-14-31(29,30)27-12-9-23(10-13-27,21-18(3)6-5-11-25-21)16-26-22(28)19-8-7-17(2)15-20(19)24;1-2/h5-8,11,15H,4,9-10,12-14,16H2,1-3H3,(H,26,28);1-2H3
InChIKeyZXNJYEUYNMBQNZ-UHFFFAOYSA-N
MW494.10 g/mol
LogP4.88
Rot. Bonds7

About 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane

2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane (PubChem CID 143116417) has the molecular formula C25H36ClN3O3S and a molecular weight of 494.10 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
PubChem CID143116417
Molecular FormulaC25H36ClN3O3S
Molecular Weight494.10 g/mol
Exact Mass493.22
IUPAC Name2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
SMILESCC.CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C)cc2Cl)(c2ncccc2C)CC1
InChIInChI=1S/C23H30ClN3O3S.C2H6/c1-4-14-31(29,30)27-12-9-23(10-13-27,21-18(3)6-5-11-25-21)16-26-22(28)19-8-7-17(2)15-20(19)24;1-2/h5-8,11,15H,4,9-10,12-14,16H2,1-3H3,(H,26,28);1-2H3
InChIKeyZXNJYEUYNMBQNZ-UHFFFAOYSA-N
XLogP4.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.10
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane with MolForge

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Related Compounds

2-chloro-4-methyl-N-[(4-piperidin-1-yl-1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 143452817
3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
CID 44565260
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trifluorobenzamide
CID 59003504
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
(2-chlorophenyl)methyl N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 57430060
2,4-dichloro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
CID 71719907
4-chloro-2-methyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764258
2-chloro-4-cyclopropyl-N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482699
2-chloro-N-[[4,4-difluoro-1-[4-(2-hydroxypropylsulfonyl)piperazin-1-yl]cyclohexyl]methyl]-4-methylbenzamide
CID 162589871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane?
The IUPAC name of 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane (CID 143116417) is 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane.
What is the SMILES notation for 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane?
The canonical SMILES for 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane is CC.CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C)cc2Cl)(c2ncccc2C)CC1.
What is the InChIKey of 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane?
The InChIKey is ZXNJYEUYNMBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S.C2H6/c1-4-14-31(29,30)27-12-9-23(10-13-27,21-18(3)6-5-11-25-21)16-26-22(28)19-8-7-17(2)15-20(19)24;1-2/h5-8,11,15H,4,9-10,12-14,16H2,1-3H3,(H,26,28);1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane?
2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane has a molecular weight of 494.10 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane is sourced from PubChem (CID 143116417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).