N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide

C23H20N2O2S — CID 5016157

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-10-11-16(2)20(12-15)27-14-22(26)24-18-7-5-6-17(13-18)23-25-19-8-3-4-9-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyCQNVMVNXKUWNFQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.60
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 5016157) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID5016157
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-10-11-16(2)20(12-15)27-14-22(26)24-18-7-5-6-17(13-18)23-25-19-8-3-4-9-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyCQNVMVNXKUWNFQ-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 2101991
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2,6-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4511260
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2357414

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide (CID 5016157) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is CQNVMVNXKUWNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-10-11-16(2)20(12-15)27-14-22(26)24-18-7-5-6-17(13-18)23-25-19-8-3-4-9-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 388.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 5016157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).