2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide

C16H15N5OS2 — CID 2359436

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H15N5OS2/c1-21-16(18-19-20-21)23-11-15(22)17-13-9-5-6-10-14(13)24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyDQTLTJWQUUPNBL-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.09
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2359436) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2359436
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H15N5OS2/c1-21-16(18-19-20-21)23-11-15(22)17-13-9-5-6-10-14(13)24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyDQTLTJWQUUPNBL-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide (CID 2359436) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is DQTLTJWQUUPNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-21-16(18-19-20-21)23-11-15(22)17-13-9-5-6-10-14(13)24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2359436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).