N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide

C23H24N2O4S — CID 55388431

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-4-28-18-9-11-19(12-10-18)29-16(3)22(26)24-25-23(27)21-20(13-14-30-21)17-7-5-15(2)6-8-17/h5-14,16H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNFTNTQLLACPTRH-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.35
Rot. Bonds7

About N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide (PubChem CID 55388431) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide
PubChem CID55388431
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-4-28-18-9-11-19(12-10-18)29-16(3)22(26)24-25-23(27)21-20(13-14-30-21)17-7-5-15(2)6-8-17/h5-14,16H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNFTNTQLLACPTRH-UHFFFAOYSA-N
XLogP4.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.35
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'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide
CID 27619445
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 43017306
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923408
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide (CID 55388431) is N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide?
The InChIKey is NFTNTQLLACPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-4-28-18-9-11-19(12-10-18)29-16(3)22(26)24-25-23(27)21-20(13-14-30-21)17-7-5-15(2)6-8-17/h5-14,16H,4H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide has a molecular weight of 424.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 55388431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).