4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C18H14N4O5S — CID 17361484

IUPAC4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14N4O5S/c23-16(11-27-15-3-1-2-14(10-15)22(25)26)20-13-6-4-12(5-7-13)17(24)21-18-19-8-9-28-18/h1-10H,11H2,(H,20,23)(H,19,21,24)
InChIKeyNSLQSNZGEDSWRO-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.32
Rot. Bonds7

About 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361484) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361484
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC Name4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14N4O5S/c23-16(11-27-15-3-1-2-14(10-15)22(25)26)20-13-6-4-12(5-7-13)17(24)21-18-19-8-9-28-18/h1-10H,11H2,(H,20,23)(H,19,21,24)
InChIKeyNSLQSNZGEDSWRO-UHFFFAOYSA-N
XLogP3.32
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
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

3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361413
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361539
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2925349
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361484) is 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NSLQSNZGEDSWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5S/c23-16(11-27-15-3-1-2-14(10-15)22(25)26)20-13-6-4-12(5-7-13)17(24)21-18-19-8-9-28-18/h1-10H,11H2,(H,20,23)(H,19,21,24).
What are the key properties of 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 398.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).