2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

C22H23ClN2O3S — CID 55387721

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C22H23ClN2O3S/c1-4-25(13-15-9-10-19(27-2)20(11-15)28-3)21(26)12-16-14-29-22(24-16)17-7-5-6-8-18(17)23/h5-11,14H,4,12-13H2,1-3H3
InChIKeyFSVHPEKASOLOFH-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.07
Rot. Bonds8

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (PubChem CID 55387721) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
PubChem CID55387721
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C22H23ClN2O3S/c1-4-25(13-15-9-10-19(27-2)20(11-15)28-3)21(26)12-16-14-29-22(24-16)17-7-5-6-8-18(17)23/h5-11,14H,4,12-13H2,1-3H3
InChIKeyFSVHPEKASOLOFH-UHFFFAOYSA-N
XLogP5.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 29416576
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
CID 52827861
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39966421
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (CID 55387721) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The InChIKey is FSVHPEKASOLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-4-25(13-15-9-10-19(27-2)20(11-15)28-3)21(26)12-16-14-29-22(24-16)17-7-5-6-8-18(17)23/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide has a molecular weight of 430.96 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 55387721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).