N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide

C15H15N3O3S — CID 27227873

IUPACN-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C15H15N3O3S/c19-13(9-11-5-2-1-3-6-11)17-18-14(20)10-16-15(21)12-7-4-8-22-12/h1-8H,9-10H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyDMHFTSDEFLRQEN-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.87
Rot. Bonds5

About N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide (PubChem CID 27227873) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
PubChem CID27227873
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C15H15N3O3S/c19-13(9-11-5-2-1-3-6-11)17-18-14(20)10-16-15(21)12-7-4-8-22-12/h1-8H,9-10H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyDMHFTSDEFLRQEN-UHFFFAOYSA-N
XLogP0.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
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-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
CID 9293653
N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 40730667
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide (CID 27227873) is N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
The InChIKey is DMHFTSDEFLRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-13(9-11-5-2-1-3-6-11)17-18-14(20)10-16-15(21)12-7-4-8-22-12/h1-8H,9-10H2,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 27227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).