2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C11H12N6O2S — CID 973679

IUPAC2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-6-9(18)13-8-5-3-2-4-7(8)10(12)19/h2-5H,6H2,1H3,(H2,12,19)(H,13,18)
InChIKeyVUPWFBNGKPVEBM-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.04
Rot. Bonds5

About 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 973679) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID973679
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-6-9(18)13-8-5-3-2-4-7(8)10(12)19/h2-5H,6H2,1H3,(H2,12,19)(H,13,18)
InChIKeyVUPWFBNGKPVEBM-UHFFFAOYSA-N
XLogP0.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 973679) is 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is Cn1nnnc1SCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is VUPWFBNGKPVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-6-9(18)13-8-5-3-2-4-7(8)10(12)19/h2-5H,6H2,1H3,(H2,12,19)(H,13,18).
What are the key properties of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 292.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 973679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).