N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C20H19N3O4S — CID 110314008

IUPACN-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H19N3O4S/c24-19(21-11-10-15-6-8-17(9-7-15)23(25)26)12-16-14-28-20(22-16)13-27-18-4-2-1-3-5-18/h1-9,14H,10-13H2,(H,21,24)
InChIKeyYGPJVLOLANNAPX-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.53
Rot. Bonds9

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

N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110314008) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110314008
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H19N3O4S/c24-19(21-11-10-15-6-8-17(9-7-15)23(25)26)12-16-14-28-20(22-16)13-27-18-4-2-1-3-5-18/h1-9,14H,10-13H2,(H,21,24)
InChIKeyYGPJVLOLANNAPX-UHFFFAOYSA-N
XLogP3.53
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.53
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-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110619843
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 108737701
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35344762
N-[2-(3-chlorophenyl)ethyl]-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342111
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
5-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid
CID 119234934

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110314008) is N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2ccccc2)n1)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YGPJVLOLANNAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-19(21-11-10-15-6-8-17(9-7-15)23(25)26)12-16-14-28-20(22-16)13-27-18-4-2-1-3-5-18/h1-9,14H,10-13H2,(H,21,24).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110314008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).