N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide

C15H17NO2S — CID 47110602

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(C(C)NC(=O)CSc2ccccc2)o1
InChIInChI=1S/C15H17NO2S/c1-11-8-9-14(18-11)12(2)16-15(17)10-19-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeyZMJUZYWHEROEDF-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.56
Rot. Bonds5

About N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 47110602) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
PubChem CID47110602
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(C(C)NC(=O)CSc2ccccc2)o1
InChIInChI=1S/C15H17NO2S/c1-11-8-9-14(18-11)12(2)16-15(17)10-19-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,16,17)
InChIKeyZMJUZYWHEROEDF-UHFFFAOYSA-N
XLogP3.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51329034
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide (CID 47110602) is N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide is Cc1ccc(C(C)NC(=O)CSc2ccccc2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is ZMJUZYWHEROEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-8-9-14(18-11)12(2)16-15(17)10-19-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 47110602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).