2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide

C15H11ClN2O3S — CID 22577335

IUPAC2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C15H11ClN2O3S/c16-9-1-4-11(5-2-9)21-8-14(19)17-10-3-6-12-13(7-10)22-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyZBHLPRQISPDIEJ-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide

2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide (PubChem CID 22577335) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
PubChem CID22577335
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C15H11ClN2O3S/c16-9-1-4-11(5-2-9)21-8-14(19)17-10-3-6-12-13(7-10)22-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyZBHLPRQISPDIEJ-UHFFFAOYSA-N
XLogP3.26
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 1362904
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 112505285
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]acetamide
CID 30859261
4-[2-(4-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439098
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide (CID 22577335) is 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is ZBHLPRQISPDIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-9-1-4-11(5-2-9)21-8-14(19)17-10-3-6-12-13(7-10)22-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 334.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 22577335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).