3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

C15H22N2O4S — CID 51180585

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)cc(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-10-7-12(8-14(11(10)2)22(19,20)16-3)15(18)17-9-13-5-4-6-21-13/h7-8,13,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyLKDBUJFMASBGEZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.12
Rot. Bonds5

About 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 51180585) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID51180585
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)cc(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-10-7-12(8-14(11(10)2)22(19,20)16-3)15(18)17-9-13-5-4-6-21-13/h7-8,13,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyLKDBUJFMASBGEZ-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
N-(oxolan-2-ylmethyl)-4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
CID 2959093
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (CID 51180585) is 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LKDBUJFMASBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-7-12(8-14(11(10)2)22(19,20)16-3)15(18)17-9-13-5-4-6-21-13/h7-8,13,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 51180585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).