2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide

C23H20N2O2S — CID 7919365

IUPAC2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-16(17-7-3-2-4-8-17)24-22(26)15-27-19-13-11-18(12-14-19)23-25-20-9-5-6-10-21(20)28-23/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyIRAXVOZBWMKQPR-MRXNPFEDSA-N
MW388.49 g/mol
LogP5.22
Rot. Bonds6

About 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7919365) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7919365
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-16(17-7-3-2-4-8-17)24-22(26)15-27-19-13-11-18(12-14-19)23-25-20-9-5-6-10-21(20)28-23/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyIRAXVOZBWMKQPR-MRXNPFEDSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
CID 112772419
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257870
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
4-[1-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-yl]benzoic acid
CID 172832422
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
CID 3492633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide (CID 7919365) is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is IRAXVOZBWMKQPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16(17-7-3-2-4-8-17)24-22(26)15-27-19-13-11-18(12-14-19)23-25-20-9-5-6-10-21(20)28-23/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7919365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).