N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide

C13H20N2O3S — CID 42940283

IUPACN-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-5-10(3)15-13(16)12-8-11(7-6-9(12)2)19(17,18)14-4/h6-8,10,14H,5H2,1-4H3,(H,15,16)
InChIKeySMCLXLLHIZXBMZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.43
Rot. Bonds5

About N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide

N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 42940283) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID42940283
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-5-10(3)15-13(16)12-8-11(7-6-9(12)2)19(17,18)14-4/h6-8,10,14H,5H2,1-4H3,(H,15,16)
InChIKeySMCLXLLHIZXBMZ-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide (CID 42940283) is N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide is CCC(C)NC(=O)c1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is SMCLXLLHIZXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-10(3)15-13(16)12-8-11(7-6-9(12)2)19(17,18)14-4/h6-8,10,14H,5H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide?
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 42940283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).