N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide

C21H21N3O2S — CID 9293653

IUPACN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25)
InChIKeyPZGCLMGKXCVCAV-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9293653) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9293653
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25)
InChIKeyPZGCLMGKXCVCAV-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.21
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-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide (CID 9293653) is N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is PZGCLMGKXCVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(14-22-21(26)19-12-7-13-27-19)23-24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13H,14-16H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9293653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).