N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide

C28H21ClN2OS — CID 2477898

IUPACN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C28H21ClN2OS/c29-22-14-9-15-23(18-22)31(28-30-25-16-7-8-17-26(25)33-28)27(32)19-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,24H,19H2
InChIKeyFOMGNZDIJMCTSY-UHFFFAOYSA-N
MW469.01 g/mol
LogP7.84
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide

N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide (PubChem CID 2477898) has the molecular formula C28H21ClN2OS and a molecular weight of 469.01 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
PubChem CID2477898
Molecular FormulaC28H21ClN2OS
Molecular Weight469.01 g/mol
Exact Mass468.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C28H21ClN2OS/c29-22-14-9-15-23(18-22)31(28-30-25-16-7-8-17-26(25)33-28)27(32)19-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,24H,19H2
InChIKeyFOMGNZDIJMCTSY-UHFFFAOYSA-N
XLogP7.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide 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

N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 8891857
1-(1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-3-(2,4-dichlorophenyl)thiourea
CID 2796831
N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2461820
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 26604586
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18089616
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
(E)-N-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 8894169

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide (CID 2477898) is N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide?
The InChIKey is FOMGNZDIJMCTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2OS/c29-22-14-9-15-23(18-22)31(28-30-25-16-7-8-17-26(25)33-28)27(32)19-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,24H,19H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide?
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide has a molecular weight of 469.01 g/mol, XLogP of 7.84, 6 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-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 2477898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).