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

C17H23NO4S — CID 3245275

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide
SMILESCCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO4S/c1-3-5-6-17(19)18(15-11-12-23(20,21)13-15)14-7-9-16(10-8-14)22-4-2/h7-12,15H,3-6,13H2,1-2H3
InChIKeyUISUMJSZFREORD-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.92
Rot. Bonds7

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide (PubChem CID 3245275) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide
PubChem CID3245275
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide
SMILESCCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H23NO4S/c1-3-5-6-17(19)18(15-11-12-23(20,21)13-15)14-7-9-16(10-8-14)22-4-2/h7-12,15H,3-6,13H2,1-2H3
InChIKeyUISUMJSZFREORD-UHFFFAOYSA-N
XLogP2.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.92
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)pentanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide (CID 3245275) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide is CCCCC(=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)pentanamide?
The InChIKey is UISUMJSZFREORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-3-5-6-17(19)18(15-11-12-23(20,21)13-15)14-7-9-16(10-8-14)22-4-2/h7-12,15H,3-6,13H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)pentanamide has a molecular weight of 337.44 g/mol, XLogP of 2.92, 7 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)pentanamide is sourced from PubChem (CID 3245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).