2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide

C20H27Cl2NO3S — CID 15952325

IUPAC2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
SMILESCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C20H27Cl2NO3S/c1-2-27(25,26)16-7-9-20(10-8-16,12-14-3-4-14)13-23-19(24)17-6-5-15(21)11-18(17)22/h5-6,11,14,16H,2-4,7-10,12-13H2,1H3,(H,23,24)
InChIKeyGPMRNQYEEUEPKN-UHFFFAOYSA-N
MW432.41 g/mol
LogP4.89
Rot. Bonds7

About 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide

2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide (PubChem CID 15952325) has the molecular formula C20H27Cl2NO3S and a molecular weight of 432.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
PubChem CID15952325
Molecular FormulaC20H27Cl2NO3S
Molecular Weight432.41 g/mol
Exact Mass431.11
IUPAC Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
SMILESCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C20H27Cl2NO3S/c1-2-27(25,26)16-7-9-20(10-8-16,12-14-3-4-14)13-23-19(24)17-6-5-15(21)11-18(17)22/h5-6,11,14,16H,2-4,7-10,12-13H2,1H3,(H,23,24)
InChIKeyGPMRNQYEEUEPKN-UHFFFAOYSA-N
XLogP4.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]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

DCCCyB
CID 15951941
2,4-dichloro-N-[(1S)-1-(4-phenyl-1-propylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 11363702
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11510618
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(ethylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11604449
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2,4-dichloro-N-((1-methyl-1''-(propylsulfonyl)-2,4''-bipiperidin-4''-yl)methyl)benzamide
CID 16678871
2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764946
2,4-dichloro-N-[[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 117897780
4-((2,4-dichlorobenzamido)methyl)-N,N-dimethyl-1-(propylsulfonyl)piperidine-4-carboxamide
CID 44420018
4-((2,4-dichlorobenzamido)methyl)-N-ethyl-1-(propylsulfonyl)piperidine-4-carboxamide
CID 44420020
2,4-dichloro-N-((4-(cyclopropanecarbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44420030
2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide
CID 71458194

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide (CID 15952325) is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide is CCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide?
The InChIKey is GPMRNQYEEUEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2NO3S/c1-2-27(25,26)16-7-9-20(10-8-16,12-14-3-4-14)13-23-19(24)17-6-5-15(21)11-18(17)22/h5-6,11,14,16H,2-4,7-10,12-13H2,1H3,(H,23,24).
What are the key properties of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide?
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide has a molecular weight of 432.41 g/mol, XLogP of 4.89, 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-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 15952325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).