3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide

C21H28N2O3S — CID 26290598

IUPAC3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-6-23(7-2)27(25,26)20-14-17(13-12-16(20)5)21(24)22-19-11-9-8-10-18(19)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyRAUXURQELCDMDH-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.40
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide

3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 26290598) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
PubChem CID26290598
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-6-23(7-2)27(25,26)20-14-17(13-12-16(20)5)21(24)22-19-11-9-8-10-18(19)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyRAUXURQELCDMDH-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546237
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide (CID 26290598) is 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is RAUXURQELCDMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-23(7-2)27(25,26)20-14-17(13-12-16(20)5)21(24)22-19-11-9-8-10-18(19)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide?
3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 26290598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).