N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide

C23H18N2O2S — CID 18117572

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2S/c1-25(15-21-24-19-9-5-6-10-20(19)28-21)23(27)18-13-11-17(12-14-18)22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyHYEMWPFVNQQFPO-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.80
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide (PubChem CID 18117572) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
PubChem CID18117572
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O2S/c1-25(15-21-24-19-9-5-6-10-20(19)28-21)23(27)18-13-11-17(12-14-18)22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyHYEMWPFVNQQFPO-UHFFFAOYSA-N
XLogP4.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(phenylsulfamoyl)benzamide
CID 26419057
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9393692
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46787802
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-N-methyl-3-nitrobenzamide
CID 9392737
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide (CID 18117572) is N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide is CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide?
The InChIKey is HYEMWPFVNQQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-25(15-21-24-19-9-5-6-10-20(19)28-21)23(27)18-13-11-17(12-14-18)22(26)16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide has a molecular weight of 386.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide is sourced from PubChem (CID 18117572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).