2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

C18H16Cl2N2O3S — CID 100549139

IUPAC2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C18H16Cl2N2O3S/c1-10(2)22-14-5-4-12(8-16(14)26-18(22)24)21-17(23)9-25-15-6-3-11(19)7-13(15)20/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyQFSSGVJCGWOZIP-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.97
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 100549139) has the molecular formula C18H16Cl2N2O3S and a molecular weight of 411.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID100549139
Molecular FormulaC18H16Cl2N2O3S
Molecular Weight411.31 g/mol
Exact Mass410.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C18H16Cl2N2O3S/c1-10(2)22-14-5-4-12(8-16(14)26-18(22)24)21-17(23)9-25-15-6-3-11(19)7-13(15)20/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyQFSSGVJCGWOZIP-UHFFFAOYSA-N
XLogP4.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide with MolForge

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Related Compounds

3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100549627
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100552474
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
4-[(2-chlorophenyl)methoxy]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100555607
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide
CID 4615242
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-phenylsulfanylpropanamide
CID 100549830
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4262166

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide (CID 100549139) is 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is QFSSGVJCGWOZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3S/c1-10(2)22-14-5-4-12(8-16(14)26-18(22)24)21-17(23)9-25-15-6-3-11(19)7-13(15)20/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 411.31 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 100549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).