3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C19H18F3N5O4S — CID 155191375

IUPAC3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(COc2c(C(F)(F)F)ccc(C(=O)Nc3nnnn3C)c2S(C)=O)cc1
InChIInChI=1S/C19H18F3N5O4S/c1-27-18(24-25-26-27)23-17(28)13-8-9-14(19(20,21)22)15(16(13)32(3)29)31-10-11-4-6-12(30-2)7-5-11/h4-9H,10H2,1-3H3,(H,23,24,26,28)
InChIKeyPWWHMVIMWSNVGO-UHFFFAOYSA-N
MW469.45 g/mol
LogP2.81
Rot. Bonds7

About 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 155191375) has the molecular formula C19H18F3N5O4S and a molecular weight of 469.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID155191375
Molecular FormulaC19H18F3N5O4S
Molecular Weight469.45 g/mol
Exact Mass469.10
IUPAC Name3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(COc2c(C(F)(F)F)ccc(C(=O)Nc3nnnn3C)c2S(C)=O)cc1
InChIInChI=1S/C19H18F3N5O4S/c1-27-18(24-25-26-27)23-17(28)13-8-9-14(19(20,21)22)15(16(13)32(3)29)31-10-11-4-6-12(30-2)7-5-11/h4-9H,10H2,1-3H3,(H,23,24,26,28)
InChIKeyPWWHMVIMWSNVGO-UHFFFAOYSA-N
XLogP2.81
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368096
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide
CID 156756520
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 138051378
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 86763472
2-chloro-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethyl)benzamide
CID 166505084
2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175812325
N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 166086540
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 155191375) is 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is COc1ccc(COc2c(C(F)(F)F)ccc(C(=O)Nc3nnnn3C)c2S(C)=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PWWHMVIMWSNVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O4S/c1-27-18(24-25-26-27)23-17(28)13-8-9-14(19(20,21)22)15(16(13)32(3)29)31-10-11-4-6-12(30-2)7-5-11/h4-9H,10H2,1-3H3,(H,23,24,26,28).
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 469.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155191375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).