3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

C15H22N2O5S2 — CID 7260227

IUPAC3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-15(8-9-23(19,20)11-15)17(4)14(18)12-6-5-7-13(10-12)24(21,22)16(2)3/h5-7,10H,8-9,11H2,1-4H3/t15-/m1/s1
InChIKeyPGWHJKMPOZAFFZ-OAHLLOKOSA-N
MW374.48 g/mol
LogP0.59
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7260227) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7260227
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-15(8-9-23(19,20)11-15)17(4)14(18)12-6-5-7-13(10-12)24(21,22)16(2)3/h5-7,10H,8-9,11H2,1-4H3/t15-/m1/s1
InChIKeyPGWHJKMPOZAFFZ-OAHLLOKOSA-N
XLogP0.59
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 16520996
N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9226973
3-(dimethylsulfamoyl)-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
CID 55768153
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 18573643
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
CID 110353783
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
(2,6-dimethylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 3946899
(1-oxo-1-phenylpropan-2-yl) 3-(dimethylsulfamoyl)benzoate
CID 4573416

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (CID 7260227) is 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is PGWHJKMPOZAFFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-15(8-9-23(19,20)11-15)17(4)14(18)12-6-5-7-13(10-12)24(21,22)16(2)3/h5-7,10H,8-9,11H2,1-4H3/t15-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7260227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).