4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide

C17H17N5O2S — CID 4752850

IUPAC4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)16(23)18-11-12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyLVHJZYXIVJDYOP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.19
Rot. Bonds7

About 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide

4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide (PubChem CID 4752850) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide
PubChem CID4752850
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide
SMILESCOc1ccc(C(=O)NCCSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)16(23)18-11-12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyLVHJZYXIVJDYOP-UHFFFAOYSA-N
XLogP2.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide (CID 4752850) is 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide is COc1ccc(C(=O)NCCSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide?
The InChIKey is LVHJZYXIVJDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)16(23)18-11-12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide?
4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide is sourced from PubChem (CID 4752850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).