3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide

C14H22N2O3S — CID 8923186

IUPAC3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)20(18,19)16(4)5/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeySJMITVQHWMUZMZ-NSHDSACASA-N
MW298.41 g/mol
LogP1.71
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide

3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 8923186) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID8923186
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)20(18,19)16(4)5/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeySJMITVQHWMUZMZ-NSHDSACASA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 8923186) is 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is SJMITVQHWMUZMZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)20(18,19)16(4)5/h6-11H,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide?
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 8923186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).