N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C24H22N2O3S — CID 55686685

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O3S/c1-16(29-15-17-8-7-9-18(14-17)28-2)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)30-24/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyBLZJOXPMDMFSIZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.52
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 55686685) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID55686685
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O3S/c1-16(29-15-17-8-7-9-18(14-17)28-2)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)30-24/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyBLZJOXPMDMFSIZ-UHFFFAOYSA-N
XLogP5.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25125097
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
CID 38938953
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43077572
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
CID 40634821
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate
CID 38934348
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 55686685) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is BLZJOXPMDMFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16(29-15-17-8-7-9-18(14-17)28-2)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)30-24/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 418.52 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 55686685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).