4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide

C16H25N3O3S — CID 24622173

IUPAC4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-17-16(20)15-9-7-14(8-10-15)13-18(2)23(21,22)19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)
InChIKeyJDXLOYUIPHZSBD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.60
Rot. Bonds5

About 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide

4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide (PubChem CID 24622173) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
PubChem CID24622173
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-17-16(20)15-9-7-14(8-10-15)13-18(2)23(21,22)19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)
InChIKeyJDXLOYUIPHZSBD-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
methyl 4-[(N-piperidin-1-ylsulfonylanilino)methyl]benzoate
CID 159868704
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500

Frequently Asked Questions

What is the IUPAC name of 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide (CID 24622173) is 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The InChIKey is JDXLOYUIPHZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-17-16(20)15-9-7-14(8-10-15)13-18(2)23(21,22)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 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide?
4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 24622173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).