N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide

C12H12N2O5S — CID 97020043

IUPACN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1
InChIInChI=1S/C12H12N2O5S/c1-12(16,8-4-5-20-6-8)7-13-11(15)9-2-3-10(19-9)14(17)18/h2-6,16H,7H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyYOPXOIVIDDPXOE-GFCCVEGCSA-N
MW296.30 g/mol
LogP1.89
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide

N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide (PubChem CID 97020043) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide
PubChem CID97020043
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1
InChIInChI=1S/C12H12N2O5S/c1-12(16,8-4-5-20-6-8)7-13-11(15)9-2-3-10(19-9)14(17)18/h2-6,16H,7H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyYOPXOIVIDDPXOE-GFCCVEGCSA-N
XLogP1.89
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[2-(bromomethyl)-2-ethylbutyl]-5-nitrofuran-2-carboxamide
CID 106255029
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 71867266
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111654695
N-(1-chloro-2-methylpropan-2-yl)-5-nitrofuran-2-carboxamide
CID 114295430
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide (CID 97020043) is N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide is C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide?
The InChIKey is YOPXOIVIDDPXOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-12(16,8-4-5-20-6-8)7-13-11(15)9-2-3-10(19-9)14(17)18/h2-6,16H,7H2,1H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide?
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 97020043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).