2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C13H14F3N5O3S — CID 118368057

IUPAC2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(C)=O
InChIInChI=1S/C13H14F3N5O3S/c1-21-12(18-19-20-21)17-11(22)7-4-5-9(13(14,15)16)10(25(3)23)8(7)6-24-2/h4-5H,6H2,1-3H3,(H,17,18,20,22)
InChIKeyKDPFZJBXKSTTEL-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.37
Rot. Bonds5

About 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118368057) has the molecular formula C13H14F3N5O3S and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118368057
Molecular FormulaC13H14F3N5O3S
Molecular Weight377.35 g/mol
Exact Mass377.08
IUPAC Name2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCOCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(C)=O
InChIInChI=1S/C13H14F3N5O3S/c1-21-12(18-19-20-21)17-11(22)7-4-5-9(13(14,15)16)10(25(3)23)8(7)6-24-2/h4-5H,6H2,1-3H3,(H,17,18,20,22)
InChIKeyKDPFZJBXKSTTEL-UHFFFAOYSA-N
XLogP1.37
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118368057) is 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is COCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1S(C)=O.
What is the InChIKey of 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KDPFZJBXKSTTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O3S/c1-21-12(18-19-20-21)17-11(22)7-4-5-9(13(14,15)16)10(25(3)23)8(7)6-24-2/h4-5H,6H2,1-3H3,(H,17,18,20,22).
What are the key properties of 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 377.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).