N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C19H18N2O4S2 — CID 78872865

IUPACN-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2cscn2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-27(23,24)16-8-6-14(7-9-16)10-20-19(22)17-4-2-3-5-18(17)25-11-15-12-26-13-21-15/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyBAFIZVXWMVVLFC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.06
Rot. Bonds7

About N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 78872865) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID78872865
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2cscn2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-27(23,24)16-8-6-14(7-9-16)10-20-19(22)17-4-2-3-5-18(17)25-11-15-12-26-13-21-15/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyBAFIZVXWMVVLFC-UHFFFAOYSA-N
XLogP3.06
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816299
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463772

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 78872865) is N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2cscn2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is BAFIZVXWMVVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-27(23,24)16-8-6-14(7-9-16)10-20-19(22)17-4-2-3-5-18(17)25-11-15-12-26-13-21-15/h2-9,12-13H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 78872865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).