N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide

C25H28FN3O4S — CID 25161862

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C25H28FN3O4S/c1-5-32-20-12-11-19(13-21(20)33-6-2)28-23(30)15-29(4)24(31)14-22-25(27-16(3)34-22)17-7-9-18(26)10-8-17/h7-13H,5-6,14-15H2,1-4H3,(H,28,30)
InChIKeyBUQJWEXVZSNGQG-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.69
Rot. Bonds10

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide (PubChem CID 25161862) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide
PubChem CID25161862
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C25H28FN3O4S/c1-5-32-20-12-11-19(13-21(20)33-6-2)28-23(30)15-29(4)24(31)14-22-25(27-16(3)34-22)17-7-9-18(26)10-8-17/h7-13H,5-6,14-15H2,1-4H3,(H,28,30)
InChIKeyBUQJWEXVZSNGQG-UHFFFAOYSA-N
XLogP4.69
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)sulfanyl-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 60169096
2-(2,4-difluorophenyl)sulfanyl-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 60169182
2-(3,4-difluorophenyl)sulfanyl-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 60169184
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N1-(benzo[d][1,3]dioxol-5-yl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 7222866
3,4-diethoxy-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 16028725
N1-(benzo[d][1,3]dioxol-5-yl)-N2-(2-(2-(4-fluorophenyl)-4-methylthiazol-5-yl)ethyl)oxalamide
CID 16028755
N'-(2H-1,3-Benzodioxol-5-YL)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-YL]ethyl}ethanediamide
CID 16028778
N'-(2,3-Dihydro-1,4-benzodioxin-6-YL)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-YL]ethyl}ethanediamide
CID 16028780
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylacetamide
CID 24978740
N1-(2-fluorophenyl)-N2-(2-(2-(4-methoxyphenyl)-4-methylthiazol-5-yl)ethyl)oxalamide
CID 7222987
N'-(4-Ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7522175

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide (CID 25161862) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide is CCOc1ccc(NC(=O)CN(C)C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide?
The InChIKey is BUQJWEXVZSNGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-5-32-20-12-11-19(13-21(20)33-6-2)28-23(30)15-29(4)24(31)14-22-25(27-16(3)34-22)17-7-9-18(26)10-8-17/h7-13H,5-6,14-15H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide has a molecular weight of 485.58 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 25161862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).