N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H13N5OS — CID 702136

IUPACN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H13N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,21)
InChIKeyUBCIOVZZCDKTCB-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.39
Rot. Bonds5

About N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 702136) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID702136
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H13N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,21)
InChIKeyUBCIOVZZCDKTCB-UHFFFAOYSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 702136) is N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UBCIOVZZCDKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,21).
What are the key properties of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 311.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 702136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).