N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide

C22H18N2O2S — CID 1364257

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C22H18N2O2S/c1-15-6-4-9-18(12-15)26-14-21(25)23-17-8-5-7-16(13-17)22-24-19-10-2-3-11-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyHRCVKNGPGJITCP-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.29
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 1364257) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID1364257
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C22H18N2O2S/c1-15-6-4-9-18(12-15)26-14-21(25)23-17-8-5-7-16(13-17)22-24-19-10-2-3-11-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyHRCVKNGPGJITCP-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide (CID 1364257) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is HRCVKNGPGJITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-6-4-9-18(12-15)26-14-21(25)23-17-8-5-7-16(13-17)22-24-19-10-2-3-11-20(19)27-22/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 374.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 1364257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).