2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide

C14H15NO3S — CID 114344112

IUPAC2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(O)c1O)c1cccs1
InChIInChI=1S/C14H15NO3S/c1-2-10(12-7-4-8-19-12)15-14(18)9-5-3-6-11(16)13(9)17/h3-8,10,16-17H,2H2,1H3,(H,15,18)
InChIKeyNUJBJVQWJNNVRZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.04
Rot. Bonds4

About 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide

2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide (PubChem CID 114344112) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
PubChem CID114344112
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(O)c1O)c1cccs1
InChIInChI=1S/C14H15NO3S/c1-2-10(12-7-4-8-19-12)15-14(18)9-5-3-6-11(16)13(9)17/h3-8,10,16-17H,2H2,1H3,(H,15,18)
InChIKeyNUJBJVQWJNNVRZ-UHFFFAOYSA-N
XLogP3.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
CID 61072638
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62179108
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide (CID 114344112) is 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide is CCC(NC(=O)c1cccc(O)c1O)c1cccs1.
What is the InChIKey of 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide?
The InChIKey is NUJBJVQWJNNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-10(12-7-4-8-19-12)15-14(18)9-5-3-6-11(16)13(9)17/h3-8,10,16-17H,2H2,1H3,(H,15,18).
What are the key properties of 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide?
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide has a molecular weight of 277.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 114344112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).