N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide

C20H20N2O5S — CID 9419565

IUPACN-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2SC(COc3ccccc3)=NC2=O)cc1OC
InChIInChI=1S/C20H20N2O5S/c1-25-15-9-8-13(10-16(15)26-2)21-18(23)11-17-20(24)22-19(28-17)12-27-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyBYSWRWZHYZWVFL-KRWDZBQOSA-N
MW400.46 g/mol
LogP3.15
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 9419565) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID9419565
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2SC(COc3ccccc3)=NC2=O)cc1OC
InChIInChI=1S/C20H20N2O5S/c1-25-15-9-8-13(10-16(15)26-2)21-18(23)11-17-20(24)22-19(28-17)12-27-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyBYSWRWZHYZWVFL-KRWDZBQOSA-N
XLogP3.15
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419559
N-(3,4-dimethoxyphenyl)-2-[(2S)-3-(4-methoxyphenyl)-2H-1,4-benzothiazin-2-yl]acetamide
CID 92868308
N-(3,4-dimethoxyphenyl)-2-[(5S)-2-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 98190377
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
CID 35921740
2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
CID 41435638
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide (CID 9419565) is N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2SC(COc3ccccc3)=NC2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is BYSWRWZHYZWVFL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-25-15-9-8-13(10-16(15)26-2)21-18(23)11-17-20(24)22-19(28-17)12-27-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 9419565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).