5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C20H23N3O3S2 — CID 26850641

IUPAC5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3C)cc2s1
InChIInChI=1S/C20H23N3O3S2/c1-12-6-8-15(28(25,26)23-20(3,4)5)11-16(12)19(24)22-14-7-9-17-18(10-14)27-13(2)21-17/h6-11,23H,1-5H3,(H,22,24)
InChIKeyNRKLCIIIRRMZLE-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.24
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 26850641) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID26850641
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3C)cc2s1
InChIInChI=1S/C20H23N3O3S2/c1-12-6-8-15(28(25,26)23-20(3,4)5)11-16(12)19(24)22-14-7-9-17-18(10-14)27-13(2)21-17/h6-11,23H,1-5H3,(H,22,24)
InChIKeyNRKLCIIIRRMZLE-UHFFFAOYSA-N
XLogP4.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24613183
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 55673324
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 26881359
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 26850641) is 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)NC(C)(C)C)ccc3C)cc2s1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is NRKLCIIIRRMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-12-6-8-15(28(25,26)23-20(3,4)5)11-16(12)19(24)22-14-7-9-17-18(10-14)27-13(2)21-17/h6-11,23H,1-5H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 417.56 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 26850641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).