N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide

C13H16FN5OS — CID 118491522

IUPACN-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide
SMILESCCn1nnnc1NC(=O)c1ccc(CF)c(SC)c1C
InChIInChI=1S/C13H16FN5OS/c1-4-19-13(16-17-18-19)15-12(20)10-6-5-9(7-14)11(21-3)8(10)2/h5-6H,4,7H2,1-3H3,(H,15,16,18,20)
InChIKeyWCMULENIYKIVRP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.45
Rot. Bonds5

About N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide

N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide (PubChem CID 118491522) has the molecular formula C13H16FN5OS and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide
PubChem CID118491522
Molecular FormulaC13H16FN5OS
Molecular Weight309.37 g/mol
Exact Mass309.11
IUPAC NameN-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide
SMILESCCn1nnnc1NC(=O)c1ccc(CF)c(SC)c1C
InChIInChI=1S/C13H16FN5OS/c1-4-19-13(16-17-18-19)15-12(20)10-6-5-9(7-14)11(21-3)8(10)2/h5-6H,4,7H2,1-3H3,(H,15,16,18,20)
InChIKeyWCMULENIYKIVRP-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide (CID 118491522) is N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide is CCn1nnnc1NC(=O)c1ccc(CF)c(SC)c1C.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide?
The InChIKey is WCMULENIYKIVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5OS/c1-4-19-13(16-17-18-19)15-12(20)10-6-5-9(7-14)11(21-3)8(10)2/h5-6H,4,7H2,1-3H3,(H,15,16,18,20).
What are the key properties of N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide?
N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 118491522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).