2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide

C14H14N2O4S — CID 103800351

IUPAC2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H14N2O4S/c1-15(8-7-10-4-3-9-21-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2-6,9,17H,7-8H2,1H3
InChIKeyAZJKHNGVIONVJE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.68
Rot. Bonds5

About 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide

2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 103800351) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID103800351
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H14N2O4S/c1-15(8-7-10-4-3-9-21-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2-6,9,17H,7-8H2,1H3
InChIKeyAZJKHNGVIONVJE-UHFFFAOYSA-N
XLogP2.68
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103712023
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103800115
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
4-chloro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046946
4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046947
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 103800351) is 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AZJKHNGVIONVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-15(8-7-10-4-3-9-21-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2-6,9,17H,7-8H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 306.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 103800351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).