N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide

C13H12N2O4S — CID 61221256

IUPACN-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H12N2O4S/c16-8-7-9-1-3-10(4-2-9)14-13(17)11-5-6-12(20-11)15(18)19/h1-6,16H,7-8H2,(H,14,17)
InChIKeyNQDWTHIZLWWFRD-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.44
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide (PubChem CID 61221256) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
PubChem CID61221256
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H12N2O4S/c16-8-7-9-1-3-10(4-2-9)14-13(17)11-5-6-12(20-11)15(18)19/h1-6,16H,7-8H2,(H,14,17)
InChIKeyNQDWTHIZLWWFRD-UHFFFAOYSA-N
XLogP2.44
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 55663619
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 65345874
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102
2-bromo-5-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 115295852
N-[[4-(aminomethyl)phenyl]methyl]-5-nitrothiophene-2-carboxamide
CID 81090025
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 5-nitrothiophene-2-carboxylate
CID 24557713
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitrothiophene-2-carboxamide
CID 2412130

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide (CID 61221256) is N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide is O=C(Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is NQDWTHIZLWWFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-8-7-9-1-3-10(4-2-9)14-13(17)11-5-6-12(20-11)15(18)19/h1-6,16H,7-8H2,(H,14,17).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 61221256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).