N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide

C24H22N2O2S — CID 22829849

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(C)c1
InChIInChI=1S/C24H22N2O2S/c1-16-7-12-21(17(2)13-16)28-15-23(27)25-19-10-8-18(9-11-19)14-24-26-20-5-3-4-6-22(20)29-24/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyZHURONMIWKVXLR-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.52
Rot. Bonds6

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 22829849) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID22829849
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(C)c1
InChIInChI=1S/C24H22N2O2S/c1-16-7-12-21(17(2)13-16)28-15-23(27)25-19-10-8-18(9-11-19)14-24-26-20-5-3-4-6-22(20)29-24/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyZHURONMIWKVXLR-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)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

2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18279752
4-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methoxybutanamide
CID 120587004
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 86577376
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 54859128
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 42118305
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
1,3-benzothiazol-2-ylmethyl 3-(2,4-dimethylphenoxy)propanoate
CID 55577577

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide (CID 22829849) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c(C)c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is ZHURONMIWKVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-16-7-12-21(17(2)13-16)28-15-23(27)25-19-10-8-18(9-11-19)14-24-26-20-5-3-4-6-22(20)29-24/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 402.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 22829849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).