N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide

C12H11NO4S — CID 106436177

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(=O)oc1
InChIInChI=1S/C12H11NO4S/c14-10(9-3-4-18-7-9)5-13-12(16)8-1-2-11(15)17-6-8/h1-4,6-7,10,14H,5H2,(H,13,16)
InChIKeyVMHCJECFTVYJES-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.16
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide (PubChem CID 106436177) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
PubChem CID106436177
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(=O)oc1
InChIInChI=1S/C12H11NO4S/c14-10(9-3-4-18-7-9)5-13-12(16)8-1-2-11(15)17-6-8/h1-4,6-7,10,14H,5H2,(H,13,16)
InChIKeyVMHCJECFTVYJES-UHFFFAOYSA-N
XLogP1.16
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(2-hydroxy-2-thiophen-3-ylethyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 111441348
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
CID 97227852
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide (CID 106436177) is N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide is O=C(NCC(O)c1ccsc1)c1ccc(=O)oc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide?
The InChIKey is VMHCJECFTVYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c14-10(9-3-4-18-7-9)5-13-12(16)8-1-2-11(15)17-6-8/h1-4,6-7,10,14H,5H2,(H,13,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 106436177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).