4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide

C16H18N2O5S — CID 17438424

IUPAC4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5S/c1-22-8-7-17(11-13-4-3-9-24-13)16(19)12-5-6-15(23-2)14(10-12)18(20)21/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOXFXTGBWKICTLQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.95
Rot. Bonds8

About 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide

4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17438424) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17438424
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5S/c1-22-8-7-17(11-13-4-3-9-24-13)16(19)12-5-6-15(23-2)14(10-12)18(20)21/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOXFXTGBWKICTLQ-UHFFFAOYSA-N
XLogP2.95
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
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

4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
N-(2-methoxyethyl)-3-nitro-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 18121936
4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18121935
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-(2-methoxyethylamino)-3-nitro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55505263
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
3,4-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3654381
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 47794433
4-chloro-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801544
4-bromo-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801601
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-methoxy-3-nitrobenzoate
CID 27213915

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide (CID 17438424) is 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OXFXTGBWKICTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-8-7-17(11-13-4-3-9-24-13)16(19)12-5-6-15(23-2)14(10-12)18(20)21/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 350.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17438424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).