2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide

C20H29ClN2O4S — CID 1293420

IUPAC2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC2CCCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O4S/c1-14-11-17(21)19(28(25,26)23-16-9-5-6-10-16)12-18(14)27-13-20(24)22-15-7-3-2-4-8-15/h11-12,15-16,23H,2-10,13H2,1H3,(H,22,24)
InChIKeyCUVVFMKRBFEJHR-UHFFFAOYSA-N
MW428.98 g/mol
LogP3.70
Rot. Bonds7

About 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide

2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide (PubChem CID 1293420) has the molecular formula C20H29ClN2O4S and a molecular weight of 428.98 g/mol. Its IUPAC name is 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
PubChem CID1293420
Molecular FormulaC20H29ClN2O4S
Molecular Weight428.98 g/mol
Exact Mass428.15
IUPAC Name2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC2CCCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O4S/c1-14-11-17(21)19(28(25,26)23-16-9-5-6-10-16)12-18(14)27-13-20(24)22-15-7-3-2-4-8-15/h11-12,15-16,23H,2-10,13H2,1H3,(H,22,24)
InChIKeyCUVVFMKRBFEJHR-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.98
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
N-({2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]-4-methylphenyl}sulfonyl)valine
CID 2953892
2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2204326
2-{4-Chloro-2-methyl-5-[(methylamino)sulfonyl]phenoxy}acetamide
CID 851368
2-[5-(1-Azepanylsulfonyl)-4-chloro-2-methylphenoxy]acetamide
CID 1288538
2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293427
2-[5-(1-azepanylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293677
N-[4-(aminosulfonyl)benzyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 1306422
2-{5-[(Benzylamino)sulfonyl]-4-chloro-2-methylphenoxy}acetamide
CID 2201088
2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 2204489
2-{4-Chloro-5-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-2-methylphenoxy}acetamide
CID 2949860
2-(4-Chloro-2-methyl-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenoxy)acetamide
CID 2950528

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide (CID 1293420) is 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)NC2CCCC2)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide?
The InChIKey is CUVVFMKRBFEJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O4S/c1-14-11-17(21)19(28(25,26)23-16-9-5-6-10-16)12-18(14)27-13-20(24)22-15-7-3-2-4-8-15/h11-12,15-16,23H,2-10,13H2,1H3,(H,22,24).
What are the key properties of 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide?
2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide has a molecular weight of 428.98 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 1293420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).