N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

C19H19N3O4S — CID 24623987

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sccc2-n2cccc2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-3-26-15-7-6-13(12-16(15)25-2)18(23)20-21-19(24)17-14(8-11-27-17)22-9-4-5-10-22/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIUUQACXSDZIBCW-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.02
Rot. Bonds6

About N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 24623987) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID24623987
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sccc2-n2cccc2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-3-26-15-7-6-13(12-16(15)25-2)18(23)20-21-19(24)17-14(8-11-27-17)22-9-4-5-10-22/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIUUQACXSDZIBCW-UHFFFAOYSA-N
XLogP3.02
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.02
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

4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624690
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 24623987) is N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2sccc2-n2cccc2)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is IUUQACXSDZIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-26-15-7-6-13(12-16(15)25-2)18(23)20-21-19(24)17-14(8-11-27-17)22-9-4-5-10-22/h4-12H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 385.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 24623987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).