N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C18H21N3O5S — CID 9343261

IUPACN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-25-13-6-8-14(9-7-13)26-12(2)17(23)21-20-16(22)11-19-18(24)15-5-4-10-27-15/h4-10,12H,3,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyPEICYOMWWIRGGG-LBPRGKRZSA-N
MW391.45 g/mol
LogP1.49
Rot. Bonds8

About N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9343261) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9343261
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-25-13-6-8-14(9-7-13)26-12(2)17(23)21-20-16(22)11-19-18(24)15-5-4-10-27-15/h4-10,12H,3,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyPEICYOMWWIRGGG-LBPRGKRZSA-N
XLogP1.49
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
N'-[2-(4-acetylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24554534
N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 9343261) is N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is PEICYOMWWIRGGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-3-25-13-6-8-14(9-7-13)26-12(2)17(23)21-20-16(22)11-19-18(24)15-5-4-10-27-15/h4-10,12H,3,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).