N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide

C13H11FN2O3S — CID 43304156

IUPACN-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
SMILESNc1cc(F)ccc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11FN2O3S/c14-8-3-4-11(9(15)6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18)
InChIKeyCBZXFJRFLLJNIY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide

N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide (PubChem CID 43304156) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
PubChem CID43304156
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
SMILESNc1cc(F)ccc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C13H11FN2O3S/c14-8-3-4-11(9(15)6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18)
InChIKeyCBZXFJRFLLJNIY-UHFFFAOYSA-N
XLogP2.05
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 43304252
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 43304176
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide (CID 43304156) is N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide is Nc1cc(F)ccc1SCC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide?
The InChIKey is CBZXFJRFLLJNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-8-3-4-11(9(15)6-8)20-7-12(17)16-13(18)10-2-1-5-19-10/h1-6H,7,15H2,(H,16,17,18).
What are the key properties of N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide?
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 43304156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).