N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

C21H21ClN2O3S — CID 18225445

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3cc(OC)c(Cl)cc3OC)cs2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-4-13-5-7-14(8-6-13)21-23-15(12-28-21)9-20(25)24-17-11-18(26-2)16(22)10-19(17)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)
InChIKeyMHMXQZJOFGQFAI-UHFFFAOYSA-N
MW416.93 g/mol
LogP5.22
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18225445) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID18225445
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)Nc3cc(OC)c(Cl)cc3OC)cs2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-4-13-5-7-14(8-6-13)21-23-15(12-28-21)9-20(25)24-17-11-18(26-2)16(22)10-19(17)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)
InChIKeyMHMXQZJOFGQFAI-UHFFFAOYSA-N
XLogP5.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
CID 55519829
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
methyl 5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate
CID 60527853
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 52586012
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24673631
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (CID 18225445) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is CCc1ccc(-c2nc(CC(=O)Nc3cc(OC)c(Cl)cc3OC)cs2)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MHMXQZJOFGQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-4-13-5-7-14(8-6-13)21-23-15(12-28-21)9-20(25)24-17-11-18(26-2)16(22)10-19(17)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,24,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 416.93 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18225445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).