N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide

C19H19N3O4S2 — CID 4853292

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2s1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-17-6-5-15(12-18(17)27-13)21-19(23)14-3-2-4-16(11-14)28(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,23)
InChIKeySOELJQAUXCYVFL-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.88
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4853292) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4853292
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2s1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-17-6-5-15(12-18(17)27-13)21-19(23)14-3-2-4-16(11-14)28(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,23)
InChIKeySOELJQAUXCYVFL-UHFFFAOYSA-N
XLogP2.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(ethanesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187404
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187406
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(propane-2-sulfonyl)piperidine-4-carboxamide
CID 25188226
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
CID 231116
Mmv019721
CID 4800131
4-(4-Benzothiazol-2-yl-piperidine-1-sulfonyl)-N,N-diethyl-benzamide
CID 1436935
[4-(4-Benzothiazol-2-yl-piperidine-1-sulfonyl)-phenyl]-(3-methyl-piperidin-1-yl)-methanone
CID 3223531
4-[benzyl(methyl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3514286
N-(2-aminophenyl)-4-((6-(2-morpholinoethylamino)benzo[d]thiazol-2-ylthio)methyl)benzamide
CID 22478969
N-[[4-(1-Piperidinylsulfonyl)phenyl]methyl]-6-benzothiazolecarboxamide
CID 56943317
2-methylsulfonyl-2-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]-N-(2-sulfamoylethyl)acetamide
CID 89967420
4-[2-[1-(cyclopropylmethylsulfonyl)-2-oxo-2-(2-sulfamoylethylamino)ethyl]-1,3-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 89962370

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 4853292) is N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide is Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SOELJQAUXCYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-20-17-6-5-15(12-18(17)27-13)21-19(23)14-3-2-4-16(11-14)28(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4853292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).