2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide

C18H19N5OS — CID 18565650

IUPAC2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H19N5OS/c1-3-25-16-7-5-4-6-15(16)18(24)19-12-17-20-21-22-23(17)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyXNCSWRYPVPFKLE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.01
Rot. Bonds6

About 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide

2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 18565650) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID18565650
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H19N5OS/c1-3-25-16-7-5-4-6-15(16)18(24)19-12-17-20-21-22-23(17)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyXNCSWRYPVPFKLE-UHFFFAOYSA-N
XLogP3.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide (CID 18565650) is 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide is CCSc1ccccc1C(=O)NCc1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is XNCSWRYPVPFKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-25-16-7-5-4-6-15(16)18(24)19-12-17-20-21-22-23(17)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,24).
What are the key properties of 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide?
2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 18565650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).