N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide

C24H22N2O3S2 — CID 18586988

IUPACN-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c1
InChIInChI=1S/C24H22N2O3S2/c1-17-8-13-21-22(14-17)30-24(25-21)26(16-19-6-4-3-5-7-19)23(27)15-18-9-11-20(12-10-18)31(2,28)29/h3-14H,15-16H2,1-2H3
InChIKeySRJXPTUYYPKTBZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.78
Rot. Bonds6

About N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide

N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 18586988) has the molecular formula C24H22N2O3S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID18586988
Molecular FormulaC24H22N2O3S2
Molecular Weight450.59 g/mol
Exact Mass450.11
IUPAC NameN-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c1
InChIInChI=1S/C24H22N2O3S2/c1-17-8-13-21-22(14-17)30-24(25-21)26(16-19-6-4-3-5-7-19)23(27)15-18-9-11-20(12-10-18)31(2,28)29/h3-14H,15-16H2,1-2H3
InChIKeySRJXPTUYYPKTBZ-UHFFFAOYSA-N
XLogP4.78
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41110131
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41108386
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146485
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967247
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
CID 41110107
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 7615794
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318961
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41116137
N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41323194
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
2-(2,5-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342782

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide (CID 18586988) is N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide is Cc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c1.
What is the InChIKey of N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is SRJXPTUYYPKTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S2/c1-17-8-13-21-22(14-17)30-24(25-21)26(16-19-6-4-3-5-7-19)23(27)15-18-9-11-20(12-10-18)31(2,28)29/h3-14H,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide?
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 450.59 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 18586988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).