2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C16H25N3O3S — CID 2480370

IUPAC2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)
InChIKeyQFPOHLPCXPZHII-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.75
Rot. Bonds5

About 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 2480370) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID2480370
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)
InChIKeyQFPOHLPCXPZHII-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 2480370) is 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is QFPOHLPCXPZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,17,20).
What are the key properties of 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2480370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).