2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide

C17H15N5O2S — CID 2424415

IUPAC2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C17H15N5O2S/c23-15(11-13-7-3-1-4-8-13)18-16(24)12-25-17-19-20-21-22(17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,23,24)
InChIKeyNHXLJDYONWNTJP-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.64
Rot. Bonds6

About 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide

2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide (PubChem CID 2424415) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
PubChem CID2424415
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C17H15N5O2S/c23-15(11-13-7-3-1-4-8-13)18-16(24)12-25-17-19-20-21-22(17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,23,24)
InChIKeyNHXLJDYONWNTJP-UHFFFAOYSA-N
XLogP1.64
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide (CID 2424415) is 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide is O=C(CSc1nnnn1-c1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The InChIKey is NHXLJDYONWNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-15(11-13-7-3-1-4-8-13)18-16(24)12-25-17-19-20-21-22(17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,23,24).
What are the key properties of 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide is sourced from PubChem (CID 2424415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).