3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide

C22H18N2O2S — CID 122555560

IUPAC3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc2sc(=O)[nH]c2c1
InChIInChI=1S/C22H18N2O2S/c23-21(25)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-20-19(13-17)24-22(26)27-20/h1-7,9-10,12-13H,8,11H2,(H2,23,25)(H,24,26)
InChIKeyFZGVMNBEMCJNTH-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.34
Rot. Bonds5

About 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide

3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide (PubChem CID 122555560) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
PubChem CID122555560
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc2sc(=O)[nH]c2c1
InChIInChI=1S/C22H18N2O2S/c23-21(25)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-20-19(13-17)24-22(26)27-20/h1-7,9-10,12-13H,8,11H2,(H2,23,25)(H,24,26)
InChIKeyFZGVMNBEMCJNTH-UHFFFAOYSA-N
XLogP4.34
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide
CID 134208754
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
CID 122555523
CID 159681351
CID 159681351
3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122555577
3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
CID 139454444
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810
3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
CID 134208765
3-[5-(furan-3-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539333
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
3-[3-(3-amino-3-oxopropyl)-4-(3-hydroxyphenyl)phenyl]benzoic acid;3-[5-(4-aminophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(4-fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylphenyl)phenyl]propanamide
CID 159268536
3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
CID 122555553

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide (CID 122555560) is 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide is NC(=O)CCc1cc(-c2ccccc2)ccc1-c1ccc2sc(=O)[nH]c2c1.
What is the InChIKey of 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide?
The InChIKey is FZGVMNBEMCJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c23-21(25)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-20-19(13-17)24-22(26)27-20/h1-7,9-10,12-13H,8,11H2,(H2,23,25)(H,24,26).
What are the key properties of 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide?
3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide has a molecular weight of 374.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide is sourced from PubChem (CID 122555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).