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

C12H13N5O3S — CID 2507045

IUPAC2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-11(19)8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,13,18,19)
InChIKeyWTTIOBALFFISGV-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.27
Rot. Bonds5

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

2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (PubChem CID 2507045) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
PubChem CID2507045
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-11(19)8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,13,18,19)
InChIKeyWTTIOBALFFISGV-UHFFFAOYSA-N
XLogP0.27
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (CID 2507045) is 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is COc1ccccc1C(=O)NC(=O)CSc1nnnn1C.
What is the InChIKey of 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The InChIKey is WTTIOBALFFISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-11(19)8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,13,18,19).
What are the key properties of 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide has a molecular weight of 307.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is sourced from PubChem (CID 2507045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).