N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H17N5O3S — CID 1075013

IUPACN-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H17N5O3S/c1-24-13-7-5-6-12(10-13)22-17(19-20-21-22)26-11-16(23)18-14-8-3-4-9-15(14)25-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyCTORFHQAOWQSQF-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.41
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1075013) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1075013
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H17N5O3S/c1-24-13-7-5-6-12(10-13)22-17(19-20-21-22)26-11-16(23)18-14-8-3-4-9-15(14)25-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyCTORFHQAOWQSQF-UHFFFAOYSA-N
XLogP2.41
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1075013) is N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CTORFHQAOWQSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-24-13-7-5-6-12(10-13)22-17(19-20-21-22)26-11-16(23)18-14-8-3-4-9-15(14)25-2/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 371.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1075013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).