N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C23H27N3O4S — CID 24593910

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1
InChIInChI=1S/C23H27N3O4S/c1-5-30-17-8-6-16(7-9-17)13-26(2)14-22(27)25-23-24-20(15-31-23)19-11-10-18(28-3)12-21(19)29-4/h6-12,15H,5,13-14H2,1-4H3,(H,24,25,27)
InChIKeyZPKZNFSEWCBDBL-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.30
Rot. Bonds10

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 24593910) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID24593910
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1
InChIInChI=1S/C23H27N3O4S/c1-5-30-17-8-6-16(7-9-17)13-26(2)14-22(27)25-23-24-20(15-31-23)19-11-10-18(28-3)12-21(19)29-4/h6-12,15H,5,13-14H2,1-4H3,(H,24,25,27)
InChIKeyZPKZNFSEWCBDBL-UHFFFAOYSA-N
XLogP4.30
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446124
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 24593908
2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446262
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 4517155
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16565451

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 24593910) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is ZPKZNFSEWCBDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-5-30-17-8-6-16(7-9-17)13-26(2)14-22(27)25-23-24-20(15-31-23)19-11-10-18(28-3)12-21(19)29-4/h6-12,15H,5,13-14H2,1-4H3,(H,24,25,27).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 441.55 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24593910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).