4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C22H27ClN2O5S — CID 46523366

IUPAC4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-15-5-4-6-19(11-15)29-10-9-24-22(26)18-7-8-20(23)21(12-18)31(27,28)25-13-16(2)30-17(3)14-25/h4-8,11-12,16-17H,9-10,13-14H2,1-3H3,(H,24,26)
InChIKeyMSKDIEAURNKRFN-UHFFFAOYSA-N
MW466.99 g/mol
LogP3.26
Rot. Bonds7

About 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 46523366) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID46523366
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-15-5-4-6-19(11-15)29-10-9-24-22(26)18-7-8-20(23)21(12-18)31(27,28)25-13-16(2)30-17(3)14-25/h4-8,11-12,16-17H,9-10,13-14H2,1-3H3,(H,24,26)
InChIKeyMSKDIEAURNKRFN-UHFFFAOYSA-N
XLogP3.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 42917703
4-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55806225
(3,5-dimethylphenyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16552941
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593011
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667
4-chloro-N-[3-(3-methylphenoxy)propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42923752
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 46523366) is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1.
What is the InChIKey of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is MSKDIEAURNKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-15-5-4-6-19(11-15)29-10-9-24-22(26)18-7-8-20(23)21(12-18)31(27,28)25-13-16(2)30-17(3)14-25/h4-8,11-12,16-17H,9-10,13-14H2,1-3H3,(H,24,26).
What are the key properties of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 466.99 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 46523366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).