N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide

C23H20N2OS — CID 26419053

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-25(16-22-24-20-9-5-6-10-21(20)27-22)23(26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyWSTNGEXSEYNDRS-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.16
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide (PubChem CID 26419053) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
PubChem CID26419053
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-25(16-22-24-20-9-5-6-10-21(20)27-22)23(26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyWSTNGEXSEYNDRS-UHFFFAOYSA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 46556752
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
CID 9372728
1,3-benzothiazol-2-ylmethyl 2-(4-phenylphenyl)acetate
CID 7703664
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7670189
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 78810702
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide (CID 26419053) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide is CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The InChIKey is WSTNGEXSEYNDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-25(16-22-24-20-9-5-6-10-21(20)27-22)23(26)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 26419053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).