2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide

C14H25NO3S — CID 136576884

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CN(CC)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c1-4-12(5-2)10-15(6-3)14(16)9-13-7-8-19(17,18)11-13/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyLDBCCONTFQUQAG-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.22
Rot. Bonds7

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide (PubChem CID 136576884) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide
PubChem CID136576884
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CN(CC)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c1-4-12(5-2)10-15(6-3)14(16)9-13-7-8-19(17,18)11-13/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyLDBCCONTFQUQAG-UHFFFAOYSA-N
XLogP2.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide (CID 136576884) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide is CCC(CC)CN(CC)C(=O)CC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide?
The InChIKey is LDBCCONTFQUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-4-12(5-2)10-15(6-3)14(16)9-13-7-8-19(17,18)11-13/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide has a molecular weight of 287.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-ethyl-N-(2-ethylbutyl)acetamide is sourced from PubChem (CID 136576884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).