N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide

C16H18N2O3S — CID 9237641

IUPACN'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-12-6-8-13(9-7-12)21-11(2)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyMUSRKZYBNOZCFC-NSHDSACASA-N
MW318.40 g/mol
LogP2.54
Rot. Bonds5

About N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide

N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide (PubChem CID 9237641) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
PubChem CID9237641
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-12-6-8-13(9-7-12)21-11(2)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyMUSRKZYBNOZCFC-NSHDSACASA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4961119
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide (CID 9237641) is N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide is CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is MUSRKZYBNOZCFC-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-12-6-8-13(9-7-12)21-11(2)15(19)17-18-16(20)14-5-4-10-22-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide?
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 318.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).