2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide

C12H11NO3S — CID 103892000

IUPAC2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cc(O)ccc1O
InChIInChI=1S/C12H11NO3S/c14-9-1-2-11(15)10(5-9)12(16)13-6-8-3-4-17-7-8/h1-5,7,14-15H,6H2,(H,13,16)
InChIKeyVLRKTLGMDKNHBO-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.09
Rot. Bonds3

About 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide

2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 103892000) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
PubChem CID103892000
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCc1ccsc1)c1cc(O)ccc1O
InChIInChI=1S/C12H11NO3S/c14-9-1-2-11(15)10(5-9)12(16)13-6-8-3-4-17-7-8/h1-5,7,14-15H,6H2,(H,13,16)
InChIKeyVLRKTLGMDKNHBO-UHFFFAOYSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
CID 107725957
4-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029562
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide (CID 103892000) is 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide is O=C(NCc1ccsc1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is VLRKTLGMDKNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-9-1-2-11(15)10(5-9)12(16)13-6-8-3-4-17-7-8/h1-5,7,14-15H,6H2,(H,13,16).
What are the key properties of 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide?
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 249.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 103892000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).