N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C23H24F2N2O4S — CID 29416576

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cs1
InChIInChI=1S/C23H24F2N2O4S/c1-4-30-18-8-6-5-7-17(18)22-26-16(14-32-22)12-21(28)27(2)13-15-9-10-19(31-23(24)25)20(11-15)29-3/h5-11,14,23H,4,12-13H2,1-3H3
InChIKeyUMGANQWDLRWKCT-UHFFFAOYSA-N
MW462.52 g/mol
LogP5.02
Rot. Bonds10

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 29416576) has the molecular formula C23H24F2N2O4S and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID29416576
Molecular FormulaC23H24F2N2O4S
Molecular Weight462.52 g/mol
Exact Mass462.14
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cs1
InChIInChI=1S/C23H24F2N2O4S/c1-4-30-18-8-6-5-7-17(18)22-26-16(14-32-22)12-21(28)27(2)13-15-9-10-19(31-23(24)25)20(11-15)29-3/h5-11,14,23H,4,12-13H2,1-3H3
InChIKeyUMGANQWDLRWKCT-UHFFFAOYSA-N
XLogP5.02
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55507015
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55621355
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24665287
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 47022727
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55387721
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75421049
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 8960830
3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119949697

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 29416576) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cs1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is UMGANQWDLRWKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4S/c1-4-30-18-8-6-5-7-17(18)22-26-16(14-32-22)12-21(28)27(2)13-15-9-10-19(31-23(24)25)20(11-15)29-3/h5-11,14,23H,4,12-13H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 462.52 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 29416576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).