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

C13H15NO4S — CID 1382298

IUPAC2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15NO4S/c1-18-12-4-2-11(3-5-12)14-13(15)8-10-6-7-19(16,17)9-10/h2-7,10H,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyIFPLWIFVWBYXGF-JTQLQIEISA-N
MW281.33 g/mol
LogP1.58
Rot. Bonds4

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

2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1382298) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1382298
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15NO4S/c1-18-12-4-2-11(3-5-12)14-13(15)8-10-6-7-19(16,17)9-10/h2-7,10H,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyIFPLWIFVWBYXGF-JTQLQIEISA-N
XLogP1.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide
CID 17491820
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)urea
CID 43827955
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 17422003
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
methyl 2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
CID 7116289
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)thiourea
CID 3810935
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9203613
N-[5-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404923
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
[(3S)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998116
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 55553711
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 55442192

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide (CID 1382298) is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is IFPLWIFVWBYXGF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO4S/c1-18-12-4-2-11(3-5-12)14-13(15)8-10-6-7-19(16,17)9-10/h2-7,10H,8-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1382298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).