N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide

C15H20N2O2S2 — CID 124605923

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
SMILESCCc1cc(C#N)c(NC(=O)CSC[C@@H]2CCCCO2)s1
InChIInChI=1S/C15H20N2O2S2/c1-2-13-7-11(8-16)15(21-13)17-14(18)10-20-9-12-5-3-4-6-19-12/h7,12H,2-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGIYCUVOJAJTKDA-LBPRGKRZSA-N
MW324.47 g/mol
LogP3.42
Rot. Bonds6

About N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide

N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide (PubChem CID 124605923) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
PubChem CID124605923
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
SMILESCCc1cc(C#N)c(NC(=O)CSC[C@@H]2CCCCO2)s1
InChIInChI=1S/C15H20N2O2S2/c1-2-13-7-11(8-16)15(21-13)17-14(18)10-20-9-12-5-3-4-6-19-12/h7,12H,2-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGIYCUVOJAJTKDA-LBPRGKRZSA-N
XLogP3.42
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide with MolForge

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Related Compounds

N-[5-cyano-2-(methylamino)phenyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 129486600
N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126841566
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126832616
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
N-(3-bromo-1-methylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126833040
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 136557584
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55905047
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 124606152
N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 95625825
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124615544

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide (CID 124605923) is N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide is CCc1cc(C#N)c(NC(=O)CSC[C@@H]2CCCCO2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide?
The InChIKey is GIYCUVOJAJTKDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-2-13-7-11(8-16)15(21-13)17-14(18)10-20-9-12-5-3-4-6-19-12/h7,12H,2-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide?
N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 124605923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).