N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide

C16H21NO4S — CID 3245887

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H21NO4S/c1-3-5-16(18)17(14-10-11-22(19,20)12-14)13-6-8-15(9-7-13)21-4-2/h6-11,14H,3-5,12H2,1-2H3
InChIKeyGQZQHRJUWXTQJW-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.53
Rot. Bonds6

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide (PubChem CID 3245887) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide
PubChem CID3245887
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C16H21NO4S/c1-3-5-16(18)17(14-10-11-22(19,20)12-14)13-6-8-15(9-7-13)21-4-2/h6-11,14H,3-5,12H2,1-2H3
InChIKeyGQZQHRJUWXTQJW-UHFFFAOYSA-N
XLogP2.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide (CID 3245887) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide is CCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide?
The InChIKey is GQZQHRJUWXTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-3-5-16(18)17(14-10-11-22(19,20)12-14)13-6-8-15(9-7-13)21-4-2/h6-11,14H,3-5,12H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide has a molecular weight of 323.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 3245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).