5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide

C23H19N3O4S — CID 31800795

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C23H19N3O4S/c27-22(12-15-13-24-17-4-2-1-3-16(15)17)25-26-23(28)21-8-7-20(31-21)14-5-6-18-19(11-14)30-10-9-29-18/h1-8,11,13,24H,9-10,12H2,(H,25,27)(H,26,28)
InChIKeyXXVJXPXREDLRCX-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.67
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 31800795) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID31800795
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C23H19N3O4S/c27-22(12-15-13-24-17-4-2-1-3-16(15)17)25-26-23(28)21-8-7-20(31-21)14-5-6-18-19(11-14)30-10-9-29-18/h1-8,11,13,24H,9-10,12H2,(H,25,27)(H,26,28)
InChIKeyXXVJXPXREDLRCX-UHFFFAOYSA-N
XLogP3.67
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide (CID 31800795) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is XXVJXPXREDLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c27-22(12-15-13-24-17-4-2-1-3-16(15)17)25-26-23(28)21-8-7-20(31-21)14-5-6-18-19(11-14)30-10-9-29-18/h1-8,11,13,24H,9-10,12H2,(H,25,27)(H,26,28).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 433.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(1H-indol-3-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 31800795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).