N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

C24H20N2O2S — CID 147508391

IUPACN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18/h1-13,16,20H,14-15H2,(H,26,28)
InChIKeyFIUIULJMCHBALF-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.45
Rot. Bonds7

About N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide

N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 147508391) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID147508391
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18/h1-13,16,20H,14-15H2,(H,26,28)
InChIKeyFIUIULJMCHBALF-UHFFFAOYSA-N
XLogP4.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
CID 157198147
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
N-(1,3-benzothiazol-4-yl)benzamide
CID 24975205
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1,3-benzothiazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2H-benzotriazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(3-methylbenzimidazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-methylindol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 157171875
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 167986727
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 147508391) is N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2scnc12)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is FIUIULJMCHBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-21(15-19-12-7-13-22-23(19)25-16-29-22)20(14-17-8-3-1-4-9-17)26-24(28)18-10-5-2-6-11-18/h1-13,16,20H,14-15H2,(H,26,28).
What are the key properties of N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide?
N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 4.45, 7 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-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 147508391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).