N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H13N5O3S — CID 1115200

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N5O3S/c22-15(17-11-6-7-13-14(8-11)24-10-23-13)9-25-16-18-19-20-21(16)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,22)
InChIKeyYEHCCOXADJVYQP-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.12
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1115200) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1115200
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N5O3S/c22-15(17-11-6-7-13-14(8-11)24-10-23-13)9-25-16-18-19-20-21(16)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,22)
InChIKeyYEHCCOXADJVYQP-UHFFFAOYSA-N
XLogP2.12
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1115200) is N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YEHCCOXADJVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c22-15(17-11-6-7-13-14(8-11)24-10-23-13)9-25-16-18-19-20-21(16)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,17,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1115200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).