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

C13H15NO4S — CID 3152856

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15NO4S/c1-10(15)14(12-7-8-19(16,17)9-12)11-3-5-13(18-2)6-4-11/h3-8,12H,9H2,1-2H3
InChIKeyOVSAFXHRWCBRCN-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.36
Rot. Bonds3

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 3152856) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID3152856
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15NO4S/c1-10(15)14(12-7-8-19(16,17)9-12)11-3-5-13(18-2)6-4-11/h3-8,12H,9H2,1-2H3
InChIKeyOVSAFXHRWCBRCN-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 2914790
4-(4-Methoxyphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 753453
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
Acetamide, N-(4-methoxyphenyl)-N-methyl-
CID 142032
N-cyclohexyl-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide
CID 1021988
5-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-1lambda~6~,3-thiazolane-1,1,4-trione
CID 1478363
N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2948221
2-(acetylamino)-N-(4-methoxyphenyl)-4-(methylsulfonyl)butanamide
CID 3236464
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-methoxyphenyl)pentanamide
CID 3237695
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-ethoxyphenyl)butanamide
CID 3245887
3-(Isopropylsulfanyl)-1-(4-methoxyphenyl)-2,5-pyrrolidinedione
CID 3463997
(2Z)-3-(4-methoxyphenyl)-2-(nitromethylidene)-1,3-thiazolidin-4-one
CID 5524005

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide (CID 3152856) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is OVSAFXHRWCBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-10(15)14(12-7-8-19(16,17)9-12)11-3-5-13(18-2)6-4-11/h3-8,12H,9H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.36, 3 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)acetamide is sourced from PubChem (CID 3152856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).