N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H15N5O3S — CID 17430300

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnnn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15N5O3S/c22-16(10-20-11-17-18-19-20)21(9-13-2-1-7-25-13)12-3-4-14-15(8-12)24-6-5-23-14/h1-4,7-8,11H,5-6,9-10H2
InChIKeySNXVIJORZUAOGM-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.74
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17430300) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17430300
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnnn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15N5O3S/c22-16(10-20-11-17-18-19-20)21(9-13-2-1-7-25-13)12-3-4-14-15(8-12)24-6-5-23-14/h1-4,7-8,11H,5-6,9-10H2
InChIKeySNXVIJORZUAOGM-UHFFFAOYSA-N
XLogP1.74
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428124
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 30019003
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 51656563
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 18138005
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 8009424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 34253102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 56539725
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
2-(3-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25498931
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95785975

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 17430300) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cnnn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SNXVIJORZUAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c22-16(10-20-11-17-18-19-20)21(9-13-2-1-7-25-13)12-3-4-14-15(8-12)24-6-5-23-14/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17430300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).