N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide

C14H15NO3S — CID 103749033

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
SMILESCCc1ccc(CNC(=O)c2c(O)cccc2O)s1
InChIInChI=1S/C14H15NO3S/c1-2-9-6-7-10(19-9)8-15-14(18)13-11(16)4-3-5-12(13)17/h3-7,16-17H,2,8H2,1H3,(H,15,18)
InChIKeyLDJGNRMCBZRVJA-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide

N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide (PubChem CID 103749033) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
PubChem CID103749033
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
SMILESCCc1ccc(CNC(=O)c2c(O)cccc2O)s1
InChIInChI=1S/C14H15NO3S/c1-2-9-6-7-10(19-9)8-15-14(18)13-11(16)4-3-5-12(13)17/h3-7,16-17H,2,8H2,1H3,(H,15,18)
InChIKeyLDJGNRMCBZRVJA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106006505
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide (CID 103749033) is N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide is CCc1ccc(CNC(=O)c2c(O)cccc2O)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The InChIKey is LDJGNRMCBZRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-9-6-7-10(19-9)8-15-14(18)13-11(16)4-3-5-12(13)17/h3-7,16-17H,2,8H2,1H3,(H,15,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide has a molecular weight of 277.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 103749033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).