5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide

C12H12N2O4S — CID 10401418

IUPAC5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1ccc(C(=O)NO)s1)c1ccco1
InChIInChI=1S/C12H12N2O4S/c1-7(8-3-2-6-18-8)13-11(15)9-4-5-10(19-9)12(16)14-17/h2-7,17H,1H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyRJTUMQSPPFVVGP-SSDOTTSWSA-N
MW280.31 g/mol
LogP1.95
Rot. Bonds4

About 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide

5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide (PubChem CID 10401418) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
PubChem CID10401418
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1ccc(C(=O)NO)s1)c1ccco1
InChIInChI=1S/C12H12N2O4S/c1-7(8-3-2-6-18-8)13-11(15)9-4-5-10(19-9)12(16)14-17/h2-7,17H,1H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyRJTUMQSPPFVVGP-SSDOTTSWSA-N
XLogP1.95
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616077
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide (CID 10401418) is 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide is C[C@@H](NC(=O)c1ccc(C(=O)NO)s1)c1ccco1.
What is the InChIKey of 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The InChIKey is RJTUMQSPPFVVGP-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-7(8-3-2-6-18-8)13-11(15)9-4-5-10(19-9)12(16)14-17/h2-7,17H,1H3,(H,13,15)(H,14,16)/t7-/m1/s1.
What are the key properties of 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide has a molecular weight of 280.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide is sourced from PubChem (CID 10401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).