2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide

C23H29ClN2O4S — CID 108759391

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(C)c1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-16-13-20(14-17(2)23(16)24)30-15-22(27)25-12-11-18-7-9-21(10-8-18)31(28,29)26-19-5-3-4-6-19/h7-10,13-14,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27)
InChIKeyDYJLRKMLLCJDAI-UHFFFAOYSA-N
MW465.02 g/mol
LogP3.92
Rot. Bonds9

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide (PubChem CID 108759391) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
PubChem CID108759391
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(C)c1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-16-13-20(14-17(2)23(16)24)30-15-22(27)25-12-11-18-7-9-21(10-8-18)31(28,29)26-19-5-3-4-6-19/h7-10,13-14,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27)
InChIKeyDYJLRKMLLCJDAI-UHFFFAOYSA-N
XLogP3.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108736368
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572497
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide (CID 108759391) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide is Cc1cc(OCC(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide?
The InChIKey is DYJLRKMLLCJDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-16-13-20(14-17(2)23(16)24)30-15-22(27)25-12-11-18-7-9-21(10-8-18)31(28,29)26-19-5-3-4-6-19/h7-10,13-14,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide has a molecular weight of 465.02 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 108759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).