5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide

C16H26N2O4S — CID 51144217

IUPAC5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C16H26N2O4S/c1-11-7-8-13(23(20,21)18-16(3,4)5)9-14(11)15(19)17-12(2)10-22-6/h7-9,12,18H,10H2,1-6H3,(H,17,19)
InChIKeyUTKDOEHWIZEGPV-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.84
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide (PubChem CID 51144217) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
PubChem CID51144217
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C16H26N2O4S/c1-11-7-8-13(23(20,21)18-16(3,4)5)9-14(11)15(19)17-12(2)10-22-6/h7-9,12,18H,10H2,1-6H3,(H,17,19)
InChIKeyUTKDOEHWIZEGPV-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 51164465
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 32537367
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
CID 55387703

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide (CID 51144217) is 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide is COCC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide?
The InChIKey is UTKDOEHWIZEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-11-7-8-13(23(20,21)18-16(3,4)5)9-14(11)15(19)17-12(2)10-22-6/h7-9,12,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide has a molecular weight of 342.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 51144217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).