N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide

C18H22N2O3S — CID 71874763

IUPACN-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H22N2O3S/c1-13-15(19-17(21)14-9-6-5-7-10-14)11-8-12-16(13)24(22,23)20-18(2,3)4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyAUTJMFGIRWAKBO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.32
Rot. Bonds4

About N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide

N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide (PubChem CID 71874763) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
PubChem CID71874763
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H22N2O3S/c1-13-15(19-17(21)14-9-6-5-7-10-14)11-8-12-16(13)24(22,23)20-18(2,3)4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyAUTJMFGIRWAKBO-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238
N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
CID 90756496
3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
CID 120611166
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
N-[2-(methylamino)phenyl]benzamide
CID 101444547

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide (CID 71874763) is N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide is Cc1c(NC(=O)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide?
The InChIKey is AUTJMFGIRWAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-15(19-17(21)14-9-6-5-7-10-14)11-8-12-16(13)24(22,23)20-18(2,3)4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide?
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 71874763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).