N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide

C14H15NO2S — CID 9482011

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccccc1)c1ccco1
InChIInChI=1S/C14H15NO2S/c1-11(13-8-5-9-17-13)15-14(16)10-18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyTWELNWGSACVSAV-NSHDSACASA-N
MW261.35 g/mol
LogP3.25
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 9482011) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
PubChem CID9482011
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccccc1)c1ccco1
InChIInChI=1S/C14H15NO2S/c1-11(13-8-5-9-17-13)15-14(16)10-18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyTWELNWGSACVSAV-NSHDSACASA-N
XLogP3.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 47110602
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41250816
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66139067
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide (CID 9482011) is N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide is C[C@H](NC(=O)CSc1ccccc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is TWELNWGSACVSAV-NSHDSACASA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11(13-8-5-9-17-13)15-14(16)10-18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 261.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 9482011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).