N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C20H18Cl2N2O3S — CID 24524700

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18Cl2N2O3S/c1-12-7-17(18(26-2)9-16(12)22)24-19(25)8-14-11-28-20(23-14)10-27-15-5-3-13(21)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,25)
InChIKeyVFMLHNPNXXHZNV-UHFFFAOYSA-N
MW437.35 g/mol
LogP5.53
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 24524700) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID24524700
Molecular FormulaC20H18Cl2N2O3S
Molecular Weight437.35 g/mol
Exact Mass436.04
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18Cl2N2O3S/c1-12-7-17(18(26-2)9-16(12)22)24-19(25)8-14-11-28-20(23-14)10-27-15-5-3-13(21)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,25)
InChIKeyVFMLHNPNXXHZNV-UHFFFAOYSA-N
XLogP5.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.35
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
N-(5-cyano-2-methoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 49182333
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55472121
4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55893462
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 34809182
2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894871
ethyl 4-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 27285649
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 24524700) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is VFMLHNPNXXHZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3S/c1-12-7-17(18(26-2)9-16(12)22)24-19(25)8-14-11-28-20(23-14)10-27-15-5-3-13(21)4-6-15/h3-7,9,11H,8,10H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 437.35 g/mol, XLogP of 5.53, 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-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24524700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).