N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide

C17H20FNO3S — CID 121133093

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(C(O)CCNC(=O)CSc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H20FNO3S/c1-11-9-15(12(2)22-11)16(20)7-8-19-17(21)10-23-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyXQGTYPMUYYWUIX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 121133093) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID121133093
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(C(O)CCNC(=O)CSc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H20FNO3S/c1-11-9-15(12(2)22-11)16(20)7-8-19-17(21)10-23-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyXQGTYPMUYYWUIX-UHFFFAOYSA-N
XLogP3.37
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 121133093) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(C(O)CCNC(=O)CSc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is XQGTYPMUYYWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-11-9-15(12(2)22-11)16(20)7-8-19-17(21)10-23-14-5-3-13(18)4-6-14/h3-6,9,16,20H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 121133093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).