N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide

C12H16N2O2S — CID 86799184

IUPACN-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCCN(CCC#N)C(=O)CSc1ccoc1C
InChIInChI=1S/C12H16N2O2S/c1-3-14(7-4-6-13)12(15)9-17-11-5-8-16-10(11)2/h5,8H,3-4,7,9H2,1-2H3
InChIKeyZCKMVDMLIXCANG-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.44
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide

N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide (PubChem CID 86799184) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide
PubChem CID86799184
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide
SMILESCCN(CCC#N)C(=O)CSc1ccoc1C
InChIInChI=1S/C12H16N2O2S/c1-3-14(7-4-6-13)12(15)9-17-11-5-8-16-10(11)2/h5,8H,3-4,7,9H2,1-2H3
InChIKeyZCKMVDMLIXCANG-UHFFFAOYSA-N
XLogP2.44
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide (CID 86799184) is N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide is CCN(CCC#N)C(=O)CSc1ccoc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide?
The InChIKey is ZCKMVDMLIXCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-14(7-4-6-13)12(15)9-17-11-5-8-16-10(11)2/h5,8H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide?
N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide has a molecular weight of 252.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide is sourced from PubChem (CID 86799184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).