N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide

C23H20N2OS — CID 55757331

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C23H20N2OS/c26-22(16-8-11-17-9-2-1-3-10-17)24-19-13-5-4-12-18(19)23-25-20-14-6-7-15-21(20)27-23/h1-7,9-10,12-15H,8,11,16H2,(H,24,26)
InChIKeyMAMKUEAJUWJSSO-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.92
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide (PubChem CID 55757331) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
PubChem CID55757331
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C23H20N2OS/c26-22(16-8-11-17-9-2-1-3-10-17)24-19-13-5-4-12-18(19)23-25-20-14-6-7-15-21(20)27-23/h1-7,9-10,12-15H,8,11,16H2,(H,24,26)
InChIKeyMAMKUEAJUWJSSO-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
CID 9361546
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 18585984
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137299581
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9117027
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
CID 739215
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16599570
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
CID 918649
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide (CID 55757331) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The InChIKey is MAMKUEAJUWJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-22(16-8-11-17-9-2-1-3-10-17)24-19-13-5-4-12-18(19)23-25-20-14-6-7-15-21(20)27-23/h1-7,9-10,12-15H,8,11,16H2,(H,24,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide has a molecular weight of 372.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 55757331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).