N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide

C13H15N5O4S — CID 3212977

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N5O4S/c1-20-5-4-18-13(15-16-17-18)23-7-12(19)14-9-2-3-10-11(6-9)22-8-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,14,19)
InChIKeyWIYVWAZUNOHUSH-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.78
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3212977) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3212977
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H15N5O4S/c1-20-5-4-18-13(15-16-17-18)23-7-12(19)14-9-2-3-10-11(6-9)22-8-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,14,19)
InChIKeyWIYVWAZUNOHUSH-UHFFFAOYSA-N
XLogP0.78
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861220
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 16303108
N-Benzo[1,3]dioxol-5-yl-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647456
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 650626
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 653731
N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 654256
N-Benzo[1,3]dioxol-5-yl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655678
2-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]thio}-N-(2-thienylmethyl)acetamide
CID 1263308
N-1,3-benzodioxol-5-yl-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
CID 1283156
N-Benzo[1,3]dioxol-5-yl-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452350
2-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]thio}-N-benzylacetamide
CID 2211423

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide (CID 3212977) is N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide is COCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WIYVWAZUNOHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-20-5-4-18-13(15-16-17-18)23-7-12(19)14-9-2-3-10-11(6-9)22-8-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,14,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 337.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3212977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).