N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H17F3N2O4S — CID 91541897

IUPACN-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1sc(=O)[nH]c1O
InChIInChI=1S/C20H17F3N2O4S/c1-29-15-5-3-2-4-14(15)18(27)25(11-16-17(26)24-19(28)30-16)10-12-6-8-13(9-7-12)20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,28)
InChIKeyXDFSAUVWJBCENB-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.01
Rot. Bonds6

About N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 91541897) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID91541897
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC NameN-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1sc(=O)[nH]c1O
InChIInChI=1S/C20H17F3N2O4S/c1-29-15-5-3-2-4-14(15)18(27)25(11-16-17(26)24-19(28)30-16)10-12-6-8-13(9-7-12)20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,28)
InChIKeyXDFSAUVWJBCENB-UHFFFAOYSA-N
XLogP4.01
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3546858
[4-[[(4-fluorophenyl)methyl-(2-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3897805
N-benzyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738056
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 42773961
[2-[(2-bromo-2,2-difluoroethyl)-[(4-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
CID 122366304
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 3388863
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42698400
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 3915746

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 91541897) is N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1sc(=O)[nH]c1O.
What is the InChIKey of N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is XDFSAUVWJBCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-29-15-5-3-2-4-14(15)18(27)25(11-16-17(26)24-19(28)30-16)10-12-6-8-13(9-7-12)20(21,22)23/h2-9,26H,10-11H2,1H3,(H,24,28).
What are the key properties of N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 438.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 91541897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).