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

C23H20N2OS — CID 2216354

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H20N2OS/c26-22(12-6-9-17-7-2-1-3-8-17)24-19-15-13-18(14-16-19)23-25-20-10-4-5-11-21(20)27-23/h1-5,7-8,10-11,13-16H,6,9,12H2,(H,24,26)
InChIKeyWRBNJWFIYAWHGT-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.92
Rot. Bonds6

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

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide (PubChem CID 2216354) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
PubChem CID2216354
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H20N2OS/c26-22(12-6-9-17-7-2-1-3-8-17)24-19-15-13-18(14-16-19)23-25-20-10-4-5-11-21(20)27-23/h1-5,7-8,10-11,13-16H,6,9,12H2,(H,24,26)
InChIKeyWRBNJWFIYAWHGT-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]-5-bromopentanamide
CID 68701204
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
CID 155808483
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(1-hydroxy-2-methylpropyl)amino]butanamide
CID 174362978
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 112764595
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 1344774
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-phenylphenyl)butanamide
CID 7969044
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide (CID 2216354) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
The InChIKey is WRBNJWFIYAWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-22(12-6-9-17-7-2-1-3-8-17)24-19-15-13-18(14-16-19)23-25-20-10-4-5-11-21(20)27-23/h1-5,7-8,10-11,13-16H,6,9,12H2,(H,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide?
N-[4-(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-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 2216354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).