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

C15H19NO4S — CID 3244616

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H19NO4S/c1-3-4-15(17)16(13-9-10-21(18,19)11-13)12-5-7-14(20-2)8-6-12/h5-10,13H,3-4,11H2,1-2H3
InChIKeyWEIPGPNIJUIAFO-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.14
Rot. Bonds5

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 3244616) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID3244616
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H19NO4S/c1-3-4-15(17)16(13-9-10-21(18,19)11-13)12-5-7-14(20-2)8-6-12/h5-10,13H,3-4,11H2,1-2H3
InChIKeyWEIPGPNIJUIAFO-UHFFFAOYSA-N
XLogP2.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.14
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-methoxyphenyl)butanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide (CID 3244616) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide is CCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is WEIPGPNIJUIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-3-4-15(17)16(13-9-10-21(18,19)11-13)12-5-7-14(20-2)8-6-12/h5-10,13H,3-4,11H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 309.39 g/mol, XLogP of 2.14, 5 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-methoxyphenyl)butanamide is sourced from PubChem (CID 3244616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).