N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide

C24H20N2O2S — CID 8696722

IUPACN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17(27)19-12-14-20(15-13-19)26(23(28)16-11-18-7-3-2-4-8-18)24-25-21-9-5-6-10-22(21)29-24/h2-10,12-15H,11,16H2,1H3
InChIKeyZBHAJLJNGSQKQK-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.80
Rot. Bonds6

About N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide

N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 8696722) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID8696722
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-17(27)19-12-14-20(15-13-19)26(23(28)16-11-18-7-3-2-4-8-18)24-25-21-9-5-6-10-22(21)29-24/h2-10,12-15H,11,16H2,1H3
InChIKeyZBHAJLJNGSQKQK-UHFFFAOYSA-N
XLogP5.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2461820
N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593276
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethoxyanilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 112816133
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 4787357
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 36666425

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 8696722) is N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide is CC(=O)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is ZBHAJLJNGSQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17(27)19-12-14-20(15-13-19)26(23(28)16-11-18-7-3-2-4-8-18)24-25-21-9-5-6-10-22(21)29-24/h2-10,12-15H,11,16H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide?
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 8696722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).