5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C19H17N3O5S — CID 34049444

IUPAC5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H17N3O5S/c1-3-27-17-9-13(15(22(24)25)10-16(17)26-2)18(23)21-19-20-14(11-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyMVWFJOXUQJAGGK-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.38
Rot. Bonds7

About 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 34049444) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID34049444
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H17N3O5S/c1-3-27-17-9-13(15(22(24)25)10-16(17)26-2)18(23)21-19-20-14(11-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyMVWFJOXUQJAGGK-UHFFFAOYSA-N
XLogP4.38
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 18203866
5-methoxy-4-(2-methoxyethoxy)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 55466944
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 35350202
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 18203888
2-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572450
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 55688928
4-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methoxy-2-nitrobenzamide
CID 8928038
4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
CID 51217068
(2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666399
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55466862
5-ethoxy-4-methoxy-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-nitrobenzamide
CID 34075368

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 34049444) is 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MVWFJOXUQJAGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-3-27-17-9-13(15(22(24)25)10-16(17)26-2)18(23)21-19-20-14(11-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 399.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 34049444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).