7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide

C16H15ClN2O4S — CID 9428860

IUPAC7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1C
InChIInChI=1S/C16H15ClN2O4S/c1-3-12-8(2)4-13(24-12)16(21)19-18-15(20)9-5-10(17)14-11(6-9)22-7-23-14/h4-6H,3,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAZBPSLZATNKVKJ-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.08
Rot. Bonds3

About 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide

7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9428860) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID9428860
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1C
InChIInChI=1S/C16H15ClN2O4S/c1-3-12-8(2)4-13(24-12)16(21)19-18-15(20)9-5-10(17)14-11(6-9)22-7-23-14/h4-6H,3,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAZBPSLZATNKVKJ-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9428863
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418354
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9294090
7-chloro-N-[2-(ethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9224824
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
7-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428469

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide (CID 9428860) is 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1C.
What is the InChIKey of 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is AZBPSLZATNKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-3-12-8(2)4-13(24-12)16(21)19-18-15(20)9-5-10(17)14-11(6-9)22-7-23-14/h4-6H,3,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide?
7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 366.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9428860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).