N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H15N5O2S — CID 973683

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-11(18)13-7-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyQHEHOGXIYYUBQQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.63
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 973683) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID973683
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-11(18)13-7-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyQHEHOGXIYYUBQQ-UHFFFAOYSA-N
XLogP0.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 973683) is N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(CNC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QHEHOGXIYYUBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-11(18)13-7-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 293.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 973683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).