2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide

C18H26N2O4S — CID 3634459

IUPAC2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C18H26N2O4S/c1-13-11-16(25(22,23)20-15-5-3-2-4-6-15)9-10-17(13)24-12-18(21)19-14-7-8-14/h9-11,14-15,20H,2-8,12H2,1H3,(H,19,21)
InChIKeyODOSJJAITFZOCU-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.26
Rot. Bonds7

About 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide (PubChem CID 3634459) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
PubChem CID3634459
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C18H26N2O4S/c1-13-11-16(25(22,23)20-15-5-3-2-4-6-15)9-10-17(13)24-12-18(21)19-14-7-8-14/h9-11,14-15,20H,2-8,12H2,1H3,(H,19,21)
InChIKeyODOSJJAITFZOCU-UHFFFAOYSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide (CID 3634459) is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide?
The InChIKey is ODOSJJAITFZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13-11-16(25(22,23)20-15-5-3-2-4-6-15)9-10-17(13)24-12-18(21)19-14-7-8-14/h9-11,14-15,20H,2-8,12H2,1H3,(H,19,21).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide?
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide has a molecular weight of 366.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 3634459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).