5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide

C19H21N3O3S — CID 26289902

IUPAC5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-5-10-16(26(24,25)22-19(2,3)4)11-17(13)18(23)21-15-8-6-14(12-20)7-9-15/h5-11,22H,1-4H3,(H,21,23)
InChIKeyHOAZKZYSITYRTP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.20
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide (PubChem CID 26289902) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
PubChem CID26289902
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-5-10-16(26(24,25)22-19(2,3)4)11-17(13)18(23)21-15-8-6-14(12-20)7-9-15/h5-11,22H,1-4H3,(H,21,23)
InChIKeyHOAZKZYSITYRTP-UHFFFAOYSA-N
XLogP3.20
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
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N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107021185
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
N-tert-butyl-3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55720454
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 55673324

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide (CID 26289902) is 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide?
The InChIKey is HOAZKZYSITYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-5-10-16(26(24,25)22-19(2,3)4)11-17(13)18(23)21-15-8-6-14(12-20)7-9-15/h5-11,22H,1-4H3,(H,21,23).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide is sourced from PubChem (CID 26289902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).