N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

C18H19N3O3S2 — CID 35983333

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-11(2)21-26(23,24)14-6-4-5-13(10-14)17(22)20-18-19-15-8-7-12(3)9-16(15)25-18/h4-11,21H,1-3H3,(H,19,20,22)
InChIKeyKBGLDMNOIRTFDA-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.54
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 35983333) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID35983333
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-11(2)21-26(23,24)14-6-4-5-13(10-14)17(22)20-18-19-15-8-7-12(3)9-16(15)25-18/h4-11,21H,1-3H3,(H,19,20,22)
InChIKeyKBGLDMNOIRTFDA-UHFFFAOYSA-N
XLogP3.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35983340
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2425187
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432
ethyl 2-[(3-propan-2-ylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 41147982
4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983360
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (CID 35983333) is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KBGLDMNOIRTFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-11(2)21-26(23,24)14-6-4-5-13(10-14)17(22)20-18-19-15-8-7-12(3)9-16(15)25-18/h4-11,21H,1-3H3,(H,19,20,22).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 35983333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).