N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H15N5O3S — CID 894568

IUPACN-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C12H15N5O3S/c1-17-12(14-15-16-17)21-7-11(18)13-9-6-8(19-2)4-5-10(9)20-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyREDDRDGSQHMJSI-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.96
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 894568) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID894568
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C12H15N5O3S/c1-17-12(14-15-16-17)21-7-11(18)13-9-6-8(19-2)4-5-10(9)20-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyREDDRDGSQHMJSI-UHFFFAOYSA-N
XLogP0.96
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 894568) is N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is REDDRDGSQHMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-17-12(14-15-16-17)21-7-11(18)13-9-6-8(19-2)4-5-10(9)20-3/h4-6H,7H2,1-3H3,(H,13,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 309.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 894568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).