N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide

C22H21N3O5S — CID 24538901

IUPACN-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c26-20(13-23-22(28)19-7-4-12-31-19)24-25-21(27)15-30-18-10-8-17(9-11-18)29-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyNBBUQILWSZJLJV-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.28
Rot. Bonds9

About N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide (PubChem CID 24538901) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
PubChem CID24538901
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC NameN-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c26-20(13-23-22(28)19-7-4-12-31-19)24-25-21(27)15-30-18-10-8-17(9-11-18)29-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyNBBUQILWSZJLJV-UHFFFAOYSA-N
XLogP2.28
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.28
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-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-benzylthiophene-2-carboxamide
CID 574227
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013
N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
CID 55583269
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3322125
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide (CID 24538901) is N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NNC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide?
The InChIKey is NBBUQILWSZJLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c26-20(13-23-22(28)19-7-4-12-31-19)24-25-21(27)15-30-18-10-8-17(9-11-18)29-14-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24538901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).