2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide

C14H16N2O2S — CID 43722596

IUPAC2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCC(Nc1ccccc1SCC(N)=O)c1ccco1
InChIInChI=1S/C14H16N2O2S/c1-10(12-6-4-8-18-12)16-11-5-2-3-7-13(11)19-9-14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17)
InChIKeyCMJNGVOMHCEGDI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.03
Rot. Bonds6

About 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide

2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide (PubChem CID 43722596) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
PubChem CID43722596
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCC(Nc1ccccc1SCC(N)=O)c1ccco1
InChIInChI=1S/C14H16N2O2S/c1-10(12-6-4-8-18-12)16-11-5-2-3-7-13(11)19-9-14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17)
InChIKeyCMJNGVOMHCEGDI-UHFFFAOYSA-N
XLogP3.03
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
CID 43786495
2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
CID 43786501
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
CID 43722576
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide (CID 43722596) is 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide is CC(Nc1ccccc1SCC(N)=O)c1ccco1.
What is the InChIKey of 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is CMJNGVOMHCEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(12-6-4-8-18-12)16-11-5-2-3-7-13(11)19-9-14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17).
What are the key properties of 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide?
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 276.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43722596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).