N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide

C22H17ClN2O3S — CID 2467124

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C22H17ClN2O3S/c1-27-18-7-3-4-8-19(18)28-14-21(26)25(16-12-10-15(23)11-13-16)22-24-17-6-2-5-9-20(17)29-22/h2-13H,14H2,1H3
InChIKeyYAWYQDVCZHYROX-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.70
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide

N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 2467124) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID2467124
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C22H17ClN2O3S/c1-27-18-7-3-4-8-19(18)28-14-21(26)25(16-12-10-15(23)11-13-16)22-24-17-6-2-5-9-20(17)29-22/h2-13H,14H2,1H3
InChIKeyYAWYQDVCZHYROX-UHFFFAOYSA-N
XLogP5.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997201
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 43960653
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 34262166
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44922659
N-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2461168
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide (CID 2467124) is N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YAWYQDVCZHYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-27-18-7-3-4-8-19(18)28-14-21(26)25(16-12-10-15(23)11-13-16)22-24-17-6-2-5-9-20(17)29-22/h2-13H,14H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 424.91 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2467124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).