N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C25H24N2O2S — CID 7455270

IUPACN-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-24(16-18-27-22-13-7-8-14-23(22)30-25(27)29)26-17-15-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,26,28)
InChIKeyKVOJSVKNJYGVBM-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.79
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 7455270) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID7455270
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-24(16-18-27-22-13-7-8-14-23(22)30-25(27)29)26-17-15-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,26,28)
InChIKeyKVOJSVKNJYGVBM-UHFFFAOYSA-N
XLogP4.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide 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

3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 7455252
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767815
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074
naphthalen-1-yl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 18823346
2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
CID 3924477
propyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 5073803

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 7455270) is N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is KVOJSVKNJYGVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-24(16-18-27-22-13-7-8-14-23(22)30-25(27)29)26-17-15-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,26,28).
What are the key properties of N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 416.55 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 7455270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).