N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide

C16H17FN2O3S — CID 34452082

IUPACN-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
SMILESO=C(CCSc1ccccc1F)NCCNC(=O)c1ccco1
InChIInChI=1S/C16H17FN2O3S/c17-12-4-1-2-6-14(12)23-11-7-15(20)18-8-9-19-16(21)13-5-3-10-22-13/h1-6,10H,7-9,11H2,(H,18,20)(H,19,21)
InChIKeyGWZGARREQKTOAF-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.45
Rot. Bonds8

About N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide

N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide (PubChem CID 34452082) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
PubChem CID34452082
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
SMILESO=C(CCSc1ccccc1F)NCCNC(=O)c1ccco1
InChIInChI=1S/C16H17FN2O3S/c17-12-4-1-2-6-14(12)23-11-7-15(20)18-8-9-19-16(21)13-5-3-10-22-13/h1-6,10H,7-9,11H2,(H,18,20)(H,19,21)
InChIKeyGWZGARREQKTOAF-UHFFFAOYSA-N
XLogP2.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide (CID 34452082) is N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide is O=C(CCSc1ccccc1F)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide?
The InChIKey is GWZGARREQKTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-12-4-1-2-6-14(12)23-11-7-15(20)18-8-9-19-16(21)13-5-3-10-22-13/h1-6,10H,7-9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide?
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34452082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).