N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide

C14H18N2O4S — CID 95230755

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H18N2O4S/c1-3-12-13(5-4-10(2)15-12)20-8-14(17)16-11-6-7-21(18,19)9-11/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySTEUDUSLIWDGCJ-NSHDSACASA-N
MW310.38 g/mol
LogP0.76
Rot. Bonds5

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide (PubChem CID 95230755) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide
PubChem CID95230755
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H18N2O4S/c1-3-12-13(5-4-10(2)15-12)20-8-14(17)16-11-6-7-21(18,19)9-11/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeySTEUDUSLIWDGCJ-NSHDSACASA-N
XLogP0.76
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide with MolForge

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Related Compounds

2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopentylacetamide
CID 79150558
2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 60705194
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclohexylacetamide
CID 79162821
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95717925
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
CID 70750386
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
N-carbamoyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79150653
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 81322778

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide (CID 95230755) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide is CCc1nc(C)ccc1OCC(=O)N[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide?
The InChIKey is STEUDUSLIWDGCJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-12-13(5-4-10(2)15-12)20-8-14(17)16-11-6-7-21(18,19)9-11/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 95230755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).