2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

C20H22N4O3S2 — CID 24613183

IUPAC2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1
InChIInChI=1S/C20H22N4O3S2/c1-13-5-7-15(29(26,27)21-2)12-16(13)19(25)22-14-6-8-17-18(11-14)28-20(23-17)24-9-3-4-10-24/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyQERRZNWZINPDJG-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.37
Rot. Bonds5

About 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 24613183) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID24613183
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1
InChIInChI=1S/C20H22N4O3S2/c1-13-5-7-15(29(26,27)21-2)12-16(13)19(25)22-14-6-8-17-18(11-14)28-20(23-17)24-9-3-4-10-24/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyQERRZNWZINPDJG-UHFFFAOYSA-N
XLogP3.37
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
4-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599690
3-(propylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42319130
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
1-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112807733
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818900
3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 43072761
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide (CID 24613183) is 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QERRZNWZINPDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-13-5-7-15(29(26,27)21-2)12-16(13)19(25)22-14-6-8-17-18(11-14)28-20(23-17)24-9-3-4-10-24/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide?
2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 430.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 24613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).