N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C18H19N3O3S2 — CID 51250959

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-12-4-3-5-15-17(12)21-18(25-15)20-16(22)11-8-13-6-9-14(10-7-13)26(23,24)19-2/h3-7,9-10,19H,8,11H2,1-2H3,(H,20,21,22)
InChIKeyCHJLFTBLAXZNJK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.08
Rot. Bonds6

About N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51250959) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51250959
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-12-4-3-5-15-17(12)21-18(25-15)20-16(22)11-8-13-6-9-14(10-7-13)26(23,24)19-2/h3-7,9-10,19H,8,11H2,1-2H3,(H,20,21,22)
InChIKeyCHJLFTBLAXZNJK-UHFFFAOYSA-N
XLogP3.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55635604
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208874
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51250959) is N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is CHJLFTBLAXZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12-4-3-5-15-17(12)21-18(25-15)20-16(22)11-8-13-6-9-14(10-7-13)26(23,24)19-2/h3-7,9-10,19H,8,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51250959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).