N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide

C11H9NO4S — CID 34317354

IUPACN-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(N[C@H](O)C(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H9NO4S/c13-9(8-4-2-6-17-8)11(15)12-10(14)7-3-1-5-16-7/h1-6,11,15H,(H,12,14)/t11-/m1/s1
InChIKeyHTTHHXJHGQRFIM-LLVKDONJSA-N
MW251.26 g/mol
LogP1.27
Rot. Bonds4

About N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide

N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 34317354) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID34317354
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC NameN-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(N[C@H](O)C(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H9NO4S/c13-9(8-4-2-6-17-8)11(15)12-10(14)7-3-1-5-16-7/h1-6,11,15H,(H,12,14)/t11-/m1/s1
InChIKeyHTTHHXJHGQRFIM-LLVKDONJSA-N
XLogP1.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34317936
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
N'-[1-(furan-2-yl)ethenyl]thiophene-2-carbohydrazide
CID 2715141
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
N-[(1S)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 98173237
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide (CID 34317354) is N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide is O=C(N[C@H](O)C(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is HTTHHXJHGQRFIM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-9(8-4-2-6-17-8)11(15)12-10(14)7-3-1-5-16-7/h1-6,11,15H,(H,12,14)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide?
N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 34317354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).