2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

C17H15ClN2O3S — CID 100531271

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-10-7-12(4-5-13(10)18)23-9-16(21)19-11-3-6-14-15(8-11)24-17(22)20(14)2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyZUALCWMBBMWBDM-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (PubChem CID 100531271) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
PubChem CID100531271
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-10-7-12(4-5-13(10)18)23-9-16(21)19-11-3-6-14-15(8-11)24-17(22)20(14)2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyZUALCWMBBMWBDM-UHFFFAOYSA-N
XLogP3.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100535564
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 49169219
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 100547426
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100535827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (CID 100531271) is 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is ZUALCWMBBMWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-7-12(4-5-13(10)18)23-9-16(21)19-11-3-6-14-15(8-11)24-17(22)20(14)2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 100531271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).