N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide

C17H19NO3S — CID 95158742

IUPACN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
SMILESC[C@H](Cc1ccco1)NC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(10-15-8-5-9-21-15)18-17(20)12-22-11-16(19)14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyIICWGFXKZGVQFX-CYBMUJFWSA-N
MW317.41 g/mol
LogP2.94
Rot. Bonds8

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide (PubChem CID 95158742) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
PubChem CID95158742
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
SMILESC[C@H](Cc1ccco1)NC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(10-15-8-5-9-21-15)18-17(20)12-22-11-16(19)14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyIICWGFXKZGVQFX-CYBMUJFWSA-N
XLogP2.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952801
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952800
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
(2R)-3-methyl-2-[(2-phenacylsulfanylacetyl)amino]butanoic acid
CID 119369606
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
CID 51101270
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide?
The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide (CID 95158742) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide?
The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide is C[C@H](Cc1ccco1)NC(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide?
The InChIKey is IICWGFXKZGVQFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(10-15-8-5-9-21-15)18-17(20)12-22-11-16(19)14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide?
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide is sourced from PubChem (CID 95158742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).