2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C17H19N3O5S — CID 8960861

IUPAC2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-2-19(11-16(21)18-10-13-6-5-9-26-13)17(22)12-25-15-8-4-3-7-14(15)20(23)24/h3-9H,2,10-12H2,1H3,(H,18,21)
InChIKeyGKWMJRKWKBKVDS-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.20
Rot. Bonds9

About 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8960861) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8960861
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-2-19(11-16(21)18-10-13-6-5-9-26-13)17(22)12-25-15-8-4-3-7-14(15)20(23)24/h3-9H,2,10-12H2,1H3,(H,18,21)
InChIKeyGKWMJRKWKBKVDS-UHFFFAOYSA-N
XLogP2.20
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.20
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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Related Compounds

2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960885
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-nitrophenoxy)acetate
CID 2626600
N-[(2-methoxyphenyl)methyl]-2-(2-nitrophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 8699994
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2424003
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
CID 34844560
2-(4-chloro-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113455
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 8960861) is 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GKWMJRKWKBKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-19(11-16(21)18-10-13-6-5-9-26-13)17(22)12-25-15-8-4-3-7-14(15)20(23)24/h3-9H,2,10-12H2,1H3,(H,18,21).
What are the key properties of 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8960861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).