N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide

C20H19ClN2O4S — CID 9419604

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(COc2ccccc2)=NC1=O
InChIInChI=1S/C20H19ClN2O4S/c1-12-8-15(16(26-2)9-14(12)21)22-18(24)10-17-20(25)23-19(28-17)11-27-13-6-4-3-5-7-13/h3-9,17H,10-11H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyVGRLJKQKDSVEES-QGZVFWFLSA-N
MW418.90 g/mol
LogP4.11
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 9419604) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID9419604
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(COc2ccccc2)=NC1=O
InChIInChI=1S/C20H19ClN2O4S/c1-12-8-15(16(26-2)9-14(12)21)22-18(24)10-17-20(25)23-19(28-17)11-27-13-6-4-3-5-7-13/h3-9,17H,10-11H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyVGRLJKQKDSVEES-QGZVFWFLSA-N
XLogP4.11
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419565
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097464
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55434606
N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618439
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137204312
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136762049
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
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N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide (CID 9419604) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(COc2ccccc2)=NC1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is VGRLJKQKDSVEES-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-12-8-15(16(26-2)9-14(12)21)22-18(24)10-17-20(25)23-19(28-17)11-27-13-6-4-3-5-7-13/h3-9,17H,10-11H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 418.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 9419604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).