N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide

C20H21NO6S — CID 3242454

IUPACN-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1
InChIInChI=1S/C20H21NO6S/c1-25-17-8-9-18(19(12-17)26-2)21(15-10-11-28(23,24)14-15)20(22)13-27-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3
InChIKeyXUGQKVDFCZLUIU-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.43
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide

N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide (PubChem CID 3242454) has the molecular formula C20H21NO6S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide
PubChem CID3242454
Molecular FormulaC20H21NO6S
Molecular Weight403.46 g/mol
Exact Mass403.11
IUPAC NameN-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1
InChIInChI=1S/C20H21NO6S/c1-25-17-8-9-18(19(12-17)26-2)21(15-10-11-28(23,24)14-15)20(22)13-27-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3
InChIKeyXUGQKVDFCZLUIU-UHFFFAOYSA-N
XLogP2.43
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide (CID 3242454) is N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide is COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide?
The InChIKey is XUGQKVDFCZLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6S/c1-25-17-8-9-18(19(12-17)26-2)21(15-10-11-28(23,24)14-15)20(22)13-27-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide?
N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide has a molecular weight of 403.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 3242454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).