N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide

C14H15N3O5S — CID 24979080

IUPACN-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H15N3O5S/c1-2-16(9-12(18)15-8-10-4-3-7-23-10)14(19)11-5-6-13(22-11)17(20)21/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyHUHKZRWHLKROMT-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.03
Rot. Bonds7

About N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide

N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide (PubChem CID 24979080) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
PubChem CID24979080
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC NameN-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H15N3O5S/c1-2-16(9-12(18)15-8-10-4-3-7-23-10)14(19)11-5-6-13(22-11)17(20)21/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyHUHKZRWHLKROMT-UHFFFAOYSA-N
XLogP2.03
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide (CID 24979080) is N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The InChIKey is HUHKZRWHLKROMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-2-16(9-12(18)15-8-10-4-3-7-23-10)14(19)11-5-6-13(22-11)17(20)21/h3-7H,2,8-9H2,1H3,(H,15,18).
What are the key properties of N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 24979080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).