N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C18H28N2O4S — CID 1295546

IUPACN-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)20-25(22,23)17-11-9-16(10-12-17)24-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,14-15,20H,3-8,13H2,1-2H3,(H,19,21)
InChIKeyGVAYEKFDSIMNFZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.59
Rot. Bonds7

About N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1295546) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1295546
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)20-25(22,23)17-11-9-16(10-12-17)24-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,14-15,20H,3-8,13H2,1-2H3,(H,19,21)
InChIKeyGVAYEKFDSIMNFZ-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1295546) is N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is GVAYEKFDSIMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)20-25(22,23)17-11-9-16(10-12-17)24-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,14-15,20H,3-8,13H2,1-2H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1295546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).