N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide

C22H19N3O3S2 — CID 26419057

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-25(15-21-23-19-9-5-6-10-20(19)29-21)22(26)16-11-13-18(14-12-16)30(27,28)24-17-7-3-2-4-8-17/h2-14,24H,15H2,1H3
InChIKeyLHKNUCHJLOSZCM-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.37
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide (PubChem CID 26419057) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
PubChem CID26419057
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-25(15-21-23-19-9-5-6-10-20(19)29-21)22(26)16-11-13-18(14-12-16)30(27,28)24-17-7-3-2-4-8-17/h2-14,24H,15H2,1H3
InChIKeyLHKNUCHJLOSZCM-UHFFFAOYSA-N
XLogP4.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46787802
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41440007
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 41003908
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 35371249
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
CID 8004145
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 9277503
N-(1,3-benzothiazol-2-ylmethyl)-3-[cyclohexyl(methyl)sulfamoyl]-N-methylbenzamide
CID 17411471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide (CID 26419057) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide is CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide?
The InChIKey is LHKNUCHJLOSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-25(15-21-23-19-9-5-6-10-20(19)29-21)22(26)16-11-13-18(14-12-16)30(27,28)24-17-7-3-2-4-8-17/h2-14,24H,15H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide has a molecular weight of 437.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 26419057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).