3-[diethylsulfamoyl(methoxy)methyl]benzamide

C13H20N2O4S — CID 91128223

IUPAC3-[diethylsulfamoyl(methoxy)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)C(OC)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-4-15(5-2)20(17,18)13(19-3)11-8-6-7-10(9-11)12(14)16/h6-9,13H,4-5H2,1-3H3,(H2,14,16)
InChIKeyYCOHNQHFFBGILO-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.10
Rot. Bonds7

About 3-[diethylsulfamoyl(methoxy)methyl]benzamide

3-[diethylsulfamoyl(methoxy)methyl]benzamide (PubChem CID 91128223) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(methoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(methoxy)methyl]benzamide
PubChem CID91128223
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-[diethylsulfamoyl(methoxy)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)C(OC)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-4-15(5-2)20(17,18)13(19-3)11-8-6-7-10(9-11)12(14)16/h6-9,13H,4-5H2,1-3H3,(H2,14,16)
InChIKeyYCOHNQHFFBGILO-UHFFFAOYSA-N
XLogP1.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methoxy(methoxymethoxy)methyl]benzamide
CID 91348805
3-[bromo(methoxy)methyl]benzamide
CID 57281068
3-(dihydroxymethyl)benzamide
CID 174476205
3-(1-hydroxy-3,3-dimethylpentyl)benzamide
CID 142840268
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
3-[amino(hydroxy)methyl]benzamide
CID 140561822
3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide
CID 91584519
methyl 3-(1-aminopropan-2-yl)benzoate
CID 69047814
3-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171881383
3-[methyl(propylsulfonyl)amino]benzamide
CID 91156194
methyl 3-[(1R)-1-aminobutyl]benzoate;hydrochloride
CID 171213742
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(methoxy)methyl]benzamide?
The IUPAC name of 3-[diethylsulfamoyl(methoxy)methyl]benzamide (CID 91128223) is 3-[diethylsulfamoyl(methoxy)methyl]benzamide.
What is the SMILES notation for 3-[diethylsulfamoyl(methoxy)methyl]benzamide?
The canonical SMILES for 3-[diethylsulfamoyl(methoxy)methyl]benzamide is CCN(CC)S(=O)(=O)C(OC)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[diethylsulfamoyl(methoxy)methyl]benzamide?
The InChIKey is YCOHNQHFFBGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-15(5-2)20(17,18)13(19-3)11-8-6-7-10(9-11)12(14)16/h6-9,13H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 3-[diethylsulfamoyl(methoxy)methyl]benzamide?
3-[diethylsulfamoyl(methoxy)methyl]benzamide has a molecular weight of 300.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(methoxy)methyl]benzamide is sourced from PubChem (CID 91128223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).