2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide

C19H17N3O4S — CID 35344762

IUPAC2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4S/c23-18(12-26-17-8-6-16(7-9-17)22(24)25)20-11-10-15-13-27-19(21-15)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)
InChIKeyUAJFLJFADCLXCT-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.46
Rot. Bonds8

About 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide

2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 35344762) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID35344762
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4S/c23-18(12-26-17-8-6-16(7-9-17)22(24)25)20-11-10-15-13-27-19(21-15)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)
InChIKeyUAJFLJFADCLXCT-UHFFFAOYSA-N
XLogP3.46
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.46
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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35343656
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 108737701
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-nitrobenzamide
CID 35341875
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110314008
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 35344762) is 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is UAJFLJFADCLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-18(12-26-17-8-6-16(7-9-17)22(24)25)20-11-10-15-13-27-19(21-15)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23).
What are the key properties of 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 35344762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).