2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide

C13H13NO3S — CID 103890273

IUPAC2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCCc1ccsc1)c1c(O)cccc1O
InChIInChI=1S/C13H13NO3S/c15-10-2-1-3-11(16)12(10)13(17)14-6-4-9-5-7-18-8-9/h1-3,5,7-8,15-16H,4,6H2,(H,14,17)
InChIKeyDYJYLTMZNAMHKL-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.13
Rot. Bonds4

About 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide

2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide (PubChem CID 103890273) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
PubChem CID103890273
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCCc1ccsc1)c1c(O)cccc1O
InChIInChI=1S/C13H13NO3S/c15-10-2-1-3-11(16)12(10)13(17)14-6-4-9-5-7-18-8-9/h1-3,5,7-8,15-16H,4,6H2,(H,14,17)
InChIKeyDYJYLTMZNAMHKL-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
CID 114040347
N-(2-thiophen-3-ylethyl)-1H-indole-4-carboxamide
CID 60863712
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
CID 104547749
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
1-chloro-N-(2-thiophen-3-ylethyl)isoquinoline-4-carboxamide
CID 106766100
5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 79929799
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 114244362
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide (CID 103890273) is 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide is O=C(NCCc1ccsc1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is DYJYLTMZNAMHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-10-2-1-3-11(16)12(10)13(17)14-6-4-9-5-7-18-8-9/h1-3,5,7-8,15-16H,4,6H2,(H,14,17).
What are the key properties of 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide?
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 103890273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).