3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide

C14H14N2O4S — CID 103712023

IUPAC3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H14N2O4S/c1-15(7-6-11-3-2-8-21-11)14(18)10-4-5-12(16(19)20)13(17)9-10/h2-5,8-9,17H,6-7H2,1H3
InChIKeyXEUBZKVLAZUZAS-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.68
Rot. Bonds5

About 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide

3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 103712023) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID103712023
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H14N2O4S/c1-15(7-6-11-3-2-8-21-11)14(18)10-4-5-12(16(19)20)13(17)9-10/h2-5,8-9,17H,6-7H2,1H3
InChIKeyXEUBZKVLAZUZAS-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-(thiophen-2-ylmethyl)benzamide
CID 18114264
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
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
3-chloro-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 82781483
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 103712023) is 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is XEUBZKVLAZUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-15(7-6-11-3-2-8-21-11)14(18)10-4-5-12(16(19)20)13(17)9-10/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide?
3-hydroxy-N-methyl-4-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 3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 103712023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).