5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide

C18H14N2O4S2 — CID 17491051

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c21-17(15-2-1-9-25-15)19-20-18(22)16-6-5-14(26-16)11-3-4-12-13(10-11)24-8-7-23-12/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyCTULKTAWATUKCY-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.32
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide (PubChem CID 17491051) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
PubChem CID17491051
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccs1
InChIInChI=1S/C18H14N2O4S2/c21-17(15-2-1-9-25-15)19-20-18(22)16-6-5-14(26-16)11-3-4-12-13(10-11)24-8-7-23-12/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKeyCTULKTAWATUKCY-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 2487694
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
CID 31800795
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119453518
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 18105362
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120602550
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiophene-2-carboxamide
CID 38212993
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2-thiophen-2-ylacetamide
CID 94297417
5-pyridin-2-yl-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 6733993
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
CID 4790872
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976994
N-(3-aminobutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide;hydrochloride
CID 119498871

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide (CID 17491051) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccs1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
The InChIKey is CTULKTAWATUKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c21-17(15-2-1-9-25-15)19-20-18(22)16-6-5-14(26-16)11-3-4-12-13(10-11)24-8-7-23-12/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide has a molecular weight of 386.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 17491051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).