N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide

C22H23FN2O4S — CID 42836734

IUPACN-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)C(C)=O)cc1OCc1nc(CO)cs1
InChIInChI=1S/C22H23FN2O4S/c1-15(27)25(10-16-3-6-18(23)7-4-16)11-17-5-8-20(28-2)21(9-17)29-13-22-24-19(12-26)14-30-22/h3-9,14,26H,10-13H2,1-2H3
InChIKeyGQYGKUUYRGCTOO-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.91
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide

N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide (PubChem CID 42836734) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide
PubChem CID42836734
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(F)cc2)C(C)=O)cc1OCc1nc(CO)cs1
InChIInChI=1S/C22H23FN2O4S/c1-15(27)25(10-16-3-6-18(23)7-4-16)11-17-5-8-20(28-2)21(9-17)29-13-22-24-19(12-26)14-30-22/h3-9,14,26H,10-13H2,1-2H3
InChIKeyGQYGKUUYRGCTOO-UHFFFAOYSA-N
XLogP3.91
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-3-methylbutanamide
CID 46006438
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-4-methylbenzenesulfonamide
CID 42836819
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377
N-(furan-2-ylmethyl)-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-2-methylpropanamide
CID 46006387
4-chloro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-propan-2-ylbenzamide
CID 46006413
[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
CID 42836664
N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714416
[2-[[5-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
CID 42836662
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806
N-cyclopropyl-3-fluoro-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzamide
CID 46006525
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30292079

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide (CID 42836734) is N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide is COc1ccc(CN(Cc2ccc(F)cc2)C(C)=O)cc1OCc1nc(CO)cs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide?
The InChIKey is GQYGKUUYRGCTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-15(27)25(10-16-3-6-18(23)7-4-16)11-17-5-8-20(28-2)21(9-17)29-13-22-24-19(12-26)14-30-22/h3-9,14,26H,10-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide has a molecular weight of 430.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 42836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).