2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C17H17N5O2S — CID 1319426

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyRYQXSQRQGOOIDR-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.46
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 1319426) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID1319426
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyRYQXSQRQGOOIDR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 1319426) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is RYQXSQRQGOOIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-15-10-6-5-9-14(15)18-16(23)12-25-17-19-20-21-22(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1319426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).