4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide

C12H10N2O4S — CID 91647846

IUPAC4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O4S/c15-11-2-1-9(5-10(11)14(17)18)12(16)13-6-8-3-4-19-7-8/h1-5,7,15H,6H2,(H,13,16)
InChIKeyNPYMWOVWJBULHJ-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.29
Rot. Bonds4

About 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide

4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 91647846) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID91647846
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O4S/c15-11-2-1-9(5-10(11)14(17)18)12(16)13-6-8-3-4-19-7-8/h1-5,7,15H,6H2,(H,13,16)
InChIKeyNPYMWOVWJBULHJ-UHFFFAOYSA-N
XLogP2.29
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.29
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

3-chloro-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 82781557
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
5-amino-4-fluoro-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 63247819
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(thiophen-3-ylmethyl)benzamide
CID 55689206
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 62682894
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
3-[2-[(4-hydroxy-3-nitrobenzoyl)amino]ethyldisulfanyl]propanoic acid
CID 166425203
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
4-methyl-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
CID 2671607
N-benzyl-3,4-dihydroxy-5-nitrobenzamide
CID 18990399
4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63247780

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 91647846) is 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide is O=C(NCc1ccsc1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is NPYMWOVWJBULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-11-2-1-9(5-10(11)14(17)18)12(16)13-6-8-3-4-19-7-8/h1-5,7,15H,6H2,(H,13,16).
What are the key properties of 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 278.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 91647846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).