N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide

C13H14N2O2S — CID 163183439

IUPACN-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)
InChIKeyUUYNWXQYZUGELG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.16
Rot. Bonds5

About N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide

N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide (PubChem CID 163183439) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide
PubChem CID163183439
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2ccsc2)cc1
InChIInChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)
InChIKeyUUYNWXQYZUGELG-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide (CID 163183439) is N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide is O=C(NO)c1ccc(CNCc2ccsc2)cc1.
What is the InChIKey of N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide?
The InChIKey is UUYNWXQYZUGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16).
What are the key properties of N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide?
N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(thiophen-3-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 163183439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).