4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

C21H20ClN3O6S — CID 27446268

IUPAC4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O6S/c1-28-15-5-4-11(6-13(15)22)14-10-32-21(24-14)25-20(27)12-7-16(29-2)19(17(8-12)30-3)31-9-18(23)26/h4-8,10H,9H2,1-3H3,(H2,23,26)(H,24,25,27)
InChIKeyJAIZPVDKMJGLBY-UHFFFAOYSA-N
MW477.93 g/mol
LogP3.61
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 27446268) has the molecular formula C21H20ClN3O6S and a molecular weight of 477.93 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID27446268
Molecular FormulaC21H20ClN3O6S
Molecular Weight477.93 g/mol
Exact Mass477.08
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O6S/c1-28-15-5-4-11(6-13(15)22)14-10-32-21(24-14)25-20(27)12-7-16(29-2)19(17(8-12)30-3)31-9-18(23)26/h4-8,10H,9H2,1-3H3,(H2,23,26)(H,24,25,27)
InChIKeyJAIZPVDKMJGLBY-UHFFFAOYSA-N
XLogP3.61
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590822
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33172817
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 27446268) is 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)n2)cc1Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is JAIZPVDKMJGLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O6S/c1-28-15-5-4-11(6-13(15)22)14-10-32-21(24-14)25-20(27)12-7-16(29-2)19(17(8-12)30-3)31-9-18(23)26/h4-8,10H,9H2,1-3H3,(H2,23,26)(H,24,25,27).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 477.93 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 27446268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).