2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

C16H25N3O4S — CID 120785294

IUPAC2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H25N3O4S/c1-19(2)24(21,22)14-6-4-3-5-13(14)11-18-16(20)15(17)12-7-9-23-10-8-12/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyQQUOOTQRAMQVNK-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.31
Rot. Bonds6

About 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120785294) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120785294
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H25N3O4S/c1-19(2)24(21,22)14-6-4-3-5-13(14)11-18-16(20)15(17)12-7-9-23-10-8-12/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyQQUOOTQRAMQVNK-UHFFFAOYSA-N
XLogP0.31
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799386
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801605
2-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120798074
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120785294) is 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is QQUOOTQRAMQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-19(2)24(21,22)14-6-4-3-5-13(14)11-18-16(20)15(17)12-7-9-23-10-8-12/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120785294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).