4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C15H22N2O4S — CID 110733144

IUPAC4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O4S/c1-16(2)22(19,20)14-8-6-12(7-9-14)15(18)17(3)11-13-5-4-10-21-13/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyBQVPTRKBHDFELZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 110733144) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID110733144
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O4S/c1-16(2)22(19,20)14-8-6-12(7-9-14)15(18)17(3)11-13-5-4-10-21-13/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyBQVPTRKBHDFELZ-UHFFFAOYSA-N
XLogP1.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 110733144) is 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BQVPTRKBHDFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-16(2)22(19,20)14-8-6-12(7-9-14)15(18)17(3)11-13-5-4-10-21-13/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 110733144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).