3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide

C14H15NO3S — CID 111578613

IUPAC3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C14H15NO3S/c1-9-4-11(6-12(16)5-9)14(18)15-7-13(17)10-2-3-19-8-10/h2-6,8,13,16-17H,7H2,1H3,(H,15,18)
InChIKeyQVSZKMBEADVZJR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.23
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide

3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide (PubChem CID 111578613) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
PubChem CID111578613
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C14H15NO3S/c1-9-4-11(6-12(16)5-9)14(18)15-7-13(17)10-2-3-19-8-10/h2-6,8,13,16-17H,7H2,1H3,(H,15,18)
InChIKeyQVSZKMBEADVZJR-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578607
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide (CID 111578613) is 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide is Cc1cc(O)cc(C(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
The InChIKey is QVSZKMBEADVZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-4-11(6-12(16)5-9)14(18)15-7-13(17)10-2-3-19-8-10/h2-6,8,13,16-17H,7H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide?
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide has a molecular weight of 277.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide is sourced from PubChem (CID 111578613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).