2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide

C19H28Cl2N2O3S — CID 16678874

IUPAC2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC(C)C)CC1
InChIInChI=1S/C19H28Cl2N2O3S/c1-4-27(25,26)23-9-7-19(8-10-23,12-14(2)3)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,22,24)
InChIKeyRPLSWEUYCGBQBU-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.20
Rot. Bonds7

About 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide

2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16678874) has the molecular formula C19H28Cl2N2O3S and a molecular weight of 435.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
PubChem CID16678874
Molecular FormulaC19H28Cl2N2O3S
Molecular Weight435.42 g/mol
Exact Mass434.12
IUPAC Name2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC(C)C)CC1
InChIInChI=1S/C19H28Cl2N2O3S/c1-4-27(25,26)23-9-7-19(8-10-23,12-14(2)3)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,22,24)
InChIKeyRPLSWEUYCGBQBU-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide 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

2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide
CID 143116406
2-chloro-N-ethyl-4-(trifluoromethyl)benzamide;ethane;1-ethylsulfonyl-4-methyl-4-(2-methylpropyl)piperidine
CID 143452840
2,4-dichloro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
CID 71719907
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
2-chloro-N-[[1-(4-ethylsulfonylpiperazin-1-yl)-4,4-difluorocyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 155546926
N-[[1-ethylsulfanyl-4-(2-methylpropyl)piperidin-4-yl]methyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 143452795
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2-bromo-N-[[1-ethylsulfanyl-4-(2-methylpropyl)piperidin-4-yl]methyl]-4-methylbenzamide
CID 143452821
2,4-dichloro-N-[2-[4,4-difluoro-1-[4-(2-hydroxypropylsulfonyl)piperazin-1-yl]cyclohexyl]ethyl]benzamide
CID 89482358
2-chloro-N-[[1-(4-ethylsulfonylpiperazin-1-yl)-4,4-difluorocyclohexyl]methyl]-4-(trifluoromethyl)benzamide
CID 89482488
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide (CID 16678874) is 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide is CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC(C)C)CC1.
What is the InChIKey of 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is RPLSWEUYCGBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O3S/c1-4-27(25,26)23-9-7-19(8-10-23,12-14(2)3)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 435.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16678874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).