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

C19H29ClN2O4S — CID 1293427

IUPAC2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H29ClN2O4S/c1-13-10-15(20)17(27(24,25)22-19(2,3)4)11-16(13)26-12-18(23)21-14-8-6-5-7-9-14/h10-11,14,22H,5-9,12H2,1-4H3,(H,21,23)
InChIKeyFVWUEDNOFVJJJM-UHFFFAOYSA-N
MW416.97 g/mol
LogP3.55
Rot. Bonds6

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

2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide (PubChem CID 1293427) has the molecular formula C19H29ClN2O4S and a molecular weight of 416.97 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
PubChem CID1293427
Molecular FormulaC19H29ClN2O4S
Molecular Weight416.97 g/mol
Exact Mass416.15
IUPAC Name2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H29ClN2O4S/c1-13-10-15(20)17(27(24,25)22-19(2,3)4)11-16(13)26-12-18(23)21-14-8-6-5-7-9-14/h10-11,14,22H,5-9,12H2,1-4H3,(H,21,23)
InChIKeyFVWUEDNOFVJJJM-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide (CID 1293427) is 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide?
The InChIKey is FVWUEDNOFVJJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O4S/c1-13-10-15(20)17(27(24,25)22-19(2,3)4)11-16(13)26-12-18(23)21-14-8-6-5-7-9-14/h10-11,14,22H,5-9,12H2,1-4H3,(H,21,23).
What are the key properties of 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide?
2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide has a molecular weight of 416.97 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylsulfamoyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 1293427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).