N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide

C23H20N2O2S — CID 1396043

IUPACN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C23H20N2O2S/c1-15-8-3-5-12-20(15)27-14-22(26)24-18-11-7-9-17(16(18)2)23-25-19-10-4-6-13-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIHZWZJHNMOBDBX-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.60
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1396043) 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)-2-methylphenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1396043
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C23H20N2O2S/c1-15-8-3-5-12-20(15)27-14-22(26)24-18-11-7-9-17(16(18)2)23-25-19-10-4-6-13-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIHZWZJHNMOBDBX-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)-2-methylphenyl]butanamide
CID 739215
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 2101991
N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]propanamide
CID 1345272
[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]thiourea
CID 28692773
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 42999622
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide
CID 4288723
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1293093
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide (CID 1396043) is N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IHZWZJHNMOBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-8-3-5-12-20(15)27-14-22(26)24-18-11-7-9-17(16(18)2)23-25-19-10-4-6-13-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide?
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)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)-2-methylphenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1396043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).